1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide

C9H10N6O — CID 79827053

IUPAC1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(N)c(N)n2)c1
InChIInChI=1S/C9H10N6O/c10-6-1-2-7(14-8(6)11)15-4-5(3-13-15)9(12)16/h1-4H,10H2,(H2,11,14)(H2,12,16)
InChIKeyIQSQSRYEVHIGEU-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.47
Rot. Bonds2

About 1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide

1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide (PubChem CID 79827053) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide
PubChem CID79827053
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(N)c(N)n2)c1
InChIInChI=1S/C9H10N6O/c10-6-1-2-7(14-8(6)11)15-4-5(3-13-15)9(12)16/h1-4H,10H2,(H2,11,14)(H2,12,16)
InChIKeyIQSQSRYEVHIGEU-UHFFFAOYSA-N
XLogP-0.47
TPSA125.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide (CID 79827053) is 1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2ccc(N)c(N)n2)c1.
What is the InChIKey of 1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is IQSQSRYEVHIGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c10-6-1-2-7(14-8(6)11)15-4-5(3-13-15)9(12)16/h1-4H,10H2,(H2,11,14)(H2,12,16).
What are the key properties of 1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide?
1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 218.22 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 79827053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).