5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide

C15H22N6O — CID 75480233

IUPAC5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide
SMILESCc1nnc2n1CC(NC(=O)c1cc(CC(C)C)[nH]n1)CC2
InChIInChI=1S/C15H22N6O/c1-9(2)6-12-7-13(19-18-12)15(22)16-11-4-5-14-20-17-10(3)21(14)8-11/h7,9,11H,4-6,8H2,1-3H3,(H,16,22)(H,18,19)
InChIKeyNLDFEHFSMYGMCC-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.25
Rot. Bonds4

About 5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide

5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide (PubChem CID 75480233) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide
PubChem CID75480233
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide
SMILESCc1nnc2n1CC(NC(=O)c1cc(CC(C)C)[nH]n1)CC2
InChIInChI=1S/C15H22N6O/c1-9(2)6-12-7-13(19-18-12)15(22)16-11-4-5-14-20-17-10(3)21(14)8-11/h7,9,11H,4-6,8H2,1-3H3,(H,16,22)(H,18,19)
InChIKeyNLDFEHFSMYGMCC-UHFFFAOYSA-N
XLogP1.25
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide (CID 75480233) is 5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide is Cc1nnc2n1CC(NC(=O)c1cc(CC(C)C)[nH]n1)CC2.
What is the InChIKey of 5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is NLDFEHFSMYGMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-9(2)6-12-7-13(19-18-12)15(22)16-11-4-5-14-20-17-10(3)21(14)8-11/h7,9,11H,4-6,8H2,1-3H3,(H,16,22)(H,18,19).
What are the key properties of 5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide?
5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 75480233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).