7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H15N7O — CID 115593438

IUPAC7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3cc(C(C)C)[nH]n3)nn12
InChIInChI=1S/C13H15N7O/c1-7(2)9-6-10(18-17-9)15-12(21)11-16-13-14-5-4-8(3)20(13)19-11/h4-7H,1-3H3,(H2,15,17,18,21)
InChIKeyYPTIILQLAZZWRA-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.53
Rot. Bonds3

About 7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 115593438) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID115593438
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3cc(C(C)C)[nH]n3)nn12
InChIInChI=1S/C13H15N7O/c1-7(2)9-6-10(18-17-9)15-12(21)11-16-13-14-5-4-8(3)20(13)19-11/h4-7H,1-3H3,(H2,15,17,18,21)
InChIKeyYPTIILQLAZZWRA-UHFFFAOYSA-N
XLogP1.53
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 115593438) is 7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3cc(C(C)C)[nH]n3)nn12.
What is the InChIKey of 7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YPTIILQLAZZWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-7(2)9-6-10(18-17-9)15-12(21)11-16-13-14-5-4-8(3)20(13)19-11/h4-7H,1-3H3,(H2,15,17,18,21).
What are the key properties of 7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 115593438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).