Chemical identity

Allopurinol Nitrile Impurity

CAS 16617-46-2 · C4H4N4

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-05472
PubChem CID85515
NameAllopurinol Nitrile Impurity
CAS RN16617-46-2
Molecular formulaC4H4N4
Molecular weight108.1 g/mol
IUPAC name3-amino-1H-pyrazole-4-carbonitrile
InChIKeyFFNKBQRKZRMYCL-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 85515
Two-dimensional chemical structure of Allopurinol Nitrile Impurity, CAS 16617-46-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1=NNC(=C1C#N)N
InChINot listed
Formula from structureC4H4N4
Molecular weight from structure108.1 g/mol

03India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 16617-46-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 16617-46-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

04Names and relationships

Associated parent compound

Allopurinol

View API and impurity family

Other names

  • 5-Amino-4-cyanopyrazole
  • RefChem:92998
  • 16617-46-2
  • 5-amino-1H-pyrazole-4-carbonitrile
  • 3-Amino-4-pyrazolecarbonitrile
  • 3-Amino-1H-pyrazole-4-carbonitrile
  • 3-Amino-4-cyanopyrazole
  • 1204396-41-7
  • 3-Aminopyrazole-4-carbonitrile
  • 1H-Pyrazole-4-carbonitrile, 3-amino-
  • 5-Aminopyrazole-4-carbonitrile
  • MFCD00005237

Related records from the same parent family

05Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

06Sources