N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C13H12N6O — CID 135894059

IUPACN-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3cn[nH]c3)n2n1)C1CC1
InChIInChI=1S/C13H12N6O/c20-12(8-4-5-8)17-13-16-11-3-1-2-10(19(11)18-13)9-6-14-15-7-9/h1-3,6-8H,4-5H2,(H,14,15)(H,17,18,20)
InChIKeyJFJSKASPXVFXEO-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.47
Rot. Bonds3

About N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 135894059) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID135894059
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3cn[nH]c3)n2n1)C1CC1
InChIInChI=1S/C13H12N6O/c20-12(8-4-5-8)17-13-16-11-3-1-2-10(19(11)18-13)9-6-14-15-7-9/h1-3,6-8H,4-5H2,(H,14,15)(H,17,18,20)
InChIKeyJFJSKASPXVFXEO-UHFFFAOYSA-N
XLogP1.47
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 135894059) is N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3cn[nH]c3)n2n1)C1CC1.
What is the InChIKey of N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is JFJSKASPXVFXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c20-12(8-4-5-8)17-13-16-11-3-1-2-10(19(11)18-13)9-6-14-15-7-9/h1-3,6-8H,4-5H2,(H,14,15)(H,17,18,20).
What are the key properties of N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 268.28 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 N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135894059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).