1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide

C12H16N6O — CID 91629666

IUPAC1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cnn3c2CCCC3)nn1
InChIInChI=1S/C12H16N6O/c1-17-8-10(15-16-17)12(19)13-6-9-7-14-18-5-3-2-4-11(9)18/h7-8H,2-6H2,1H3,(H,13,19)
InChIKeyCHHJPESDIXJQIO-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.28
Rot. Bonds3

About 1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide

1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide (PubChem CID 91629666) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide
PubChem CID91629666
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cnn3c2CCCC3)nn1
InChIInChI=1S/C12H16N6O/c1-17-8-10(15-16-17)12(19)13-6-9-7-14-18-5-3-2-4-11(9)18/h7-8H,2-6H2,1H3,(H,13,19)
InChIKeyCHHJPESDIXJQIO-UHFFFAOYSA-N
XLogP0.28
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazole-5-carboxamide
CID 56892131
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706385
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70712427
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70739007
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70764277
Pyrazin-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143585
N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70757272
1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 71790755
2-phenyl-N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)-2H-1,2,3-triazole-4-carboxamide
CID 91629610
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 75456921
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1H-1,2,3-triazole-5-carboxamide
CID 118781482

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide (CID 91629666) is 1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide is Cn1cc(C(=O)NCc2cnn3c2CCCC3)nn1.
What is the InChIKey of 1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is CHHJPESDIXJQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-17-8-10(15-16-17)12(19)13-6-9-7-14-18-5-3-2-4-11(9)18/h7-8H,2-6H2,1H3,(H,13,19).
What are the key properties of 1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 91629666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).