2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C18H20N6O — CID 138054424

IUPAC2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1cc(NC(=O)C2CCc3nc(C)nn3C2)n(-c2ccccc2)n1
InChIInChI=1S/C18H20N6O/c1-12-10-17(24(21-12)15-6-4-3-5-7-15)20-18(25)14-8-9-16-19-13(2)22-23(16)11-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,20,25)
InChIKeyJADBYPDLFUVXBK-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.28
Rot. Bonds3

About 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 138054424) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID138054424
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1cc(NC(=O)C2CCc3nc(C)nn3C2)n(-c2ccccc2)n1
InChIInChI=1S/C18H20N6O/c1-12-10-17(24(21-12)15-6-4-3-5-7-15)20-18(25)14-8-9-16-19-13(2)22-23(16)11-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,20,25)
InChIKeyJADBYPDLFUVXBK-UHFFFAOYSA-N
XLogP2.28
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 138054424) is 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is Cc1cc(NC(=O)C2CCc3nc(C)nn3C2)n(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is JADBYPDLFUVXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-10-17(24(21-12)15-6-4-3-5-7-15)20-18(25)14-8-9-16-19-13(2)22-23(16)11-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,20,25).
What are the key properties of 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 138054424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).