5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H23N7O — CID 46998484

IUPAC5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(CC)n1ncc(C)c1NC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C17H23N7O/c1-6-13(7-2)24-15(10(3)9-18-24)21-16(25)14-20-17-19-11(4)8-12(5)23(17)22-14/h8-9,13H,6-7H2,1-5H3,(H,21,25)
InChIKeyNRYAZOICYXJANS-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.86
Rot. Bonds5

About 5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 46998484) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID46998484
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(CC)n1ncc(C)c1NC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C17H23N7O/c1-6-13(7-2)24-15(10(3)9-18-24)21-16(25)14-20-17-19-11(4)8-12(5)23(17)22-14/h8-9,13H,6-7H2,1-5H3,(H,21,25)
InChIKeyNRYAZOICYXJANS-UHFFFAOYSA-N
XLogP2.86
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 46998484) is 5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCC(CC)n1ncc(C)c1NC(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NRYAZOICYXJANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-6-13(7-2)24-15(10(3)9-18-24)21-16(25)14-20-17-19-11(4)8-12(5)23(17)22-14/h8-9,13H,6-7H2,1-5H3,(H,21,25).
What are the key properties of 5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46998484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).