1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide

C10H9N9O — CID 80868519

IUPAC1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2nc(N)nc(-n3ccnc3)n2)n1
InChIInChI=1S/C10H9N9O/c11-7(20)6-1-3-19(17-6)10-15-8(12)14-9(16-10)18-4-2-13-5-18/h1-5H,(H2,11,20)(H2,12,14,15,16)
InChIKeyVVRCIJRMKQULPR-UHFFFAOYSA-N
MW271.24 g/mol
LogP-1.08
Rot. Bonds3

About 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide

1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide (PubChem CID 80868519) has the molecular formula C10H9N9O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide
PubChem CID80868519
Molecular FormulaC10H9N9O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2nc(N)nc(-n3ccnc3)n2)n1
InChIInChI=1S/C10H9N9O/c11-7(20)6-1-3-19(17-6)10-15-8(12)14-9(16-10)18-4-2-13-5-18/h1-5H,(H2,11,20)(H2,12,14,15,16)
InChIKeyVVRCIJRMKQULPR-UHFFFAOYSA-N
XLogP-1.08
TPSA143.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
CID 80843144
2-imidazol-1-ylpyrimidine-4-carboxamide
CID 141444759
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764330
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]pyrazole-3-carboxamide
CID 107542386
4-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855886
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
2-imidazol-1-ylquinazoline-4-carboxamide
CID 172628387
4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 80837289
1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide
CID 64780352
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80823266
3-amino-4-imidazol-1-ylbenzamide
CID 43448488

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide (CID 80868519) is 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide is NC(=O)c1ccn(-c2nc(N)nc(-n3ccnc3)n2)n1.
What is the InChIKey of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide?
The InChIKey is VVRCIJRMKQULPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N9O/c11-7(20)6-1-3-19(17-6)10-15-8(12)14-9(16-10)18-4-2-13-5-18/h1-5H,(H2,11,20)(H2,12,14,15,16).
What are the key properties of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide?
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide has a molecular weight of 271.24 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 80868519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).