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

C13H16N6O — CID 128656383

IUPAC5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nc2n(n1)CCCC2)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H16N6O/c20-12(10-7-9(16-17-10)8-4-5-8)15-13-14-11-3-1-2-6-19(11)18-13/h7-8H,1-6H2,(H,16,17)(H,15,18,20)
InChIKeyRRWYZAOBKNRKMV-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.47
Rot. Bonds3

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

5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 128656383) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID128656383
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nc2n(n1)CCCC2)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H16N6O/c20-12(10-7-9(16-17-10)8-4-5-8)15-13-14-11-3-1-2-6-19(11)18-13/h7-8H,1-6H2,(H,16,17)(H,15,18,20)
InChIKeyRRWYZAOBKNRKMV-UHFFFAOYSA-N
XLogP1.47
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide (CID 128656383) is 5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide is O=C(Nc1nc2n(n1)CCCC2)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is RRWYZAOBKNRKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-12(10-7-9(16-17-10)8-4-5-8)15-13-14-11-3-1-2-6-19(11)18-13/h7-8H,1-6H2,(H,16,17)(H,15,18,20).
What are the key properties of 5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 128656383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).