N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide

C14H17N5O — CID 162655757

IUPACN-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide
SMILESO=C(Nc1n[nH]c(-c2ccncc2)n1)C1CCCCC1
InChIInChI=1S/C14H17N5O/c20-13(11-4-2-1-3-5-11)17-14-16-12(18-19-14)10-6-8-15-9-7-10/h6-9,11H,1-5H2,(H2,16,17,18,19,20)
InChIKeyFHNMKTHKWQBUHT-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.39
Rot. Bonds3

About N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide

N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide (PubChem CID 162655757) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide
PubChem CID162655757
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide
SMILESO=C(Nc1n[nH]c(-c2ccncc2)n1)C1CCCCC1
InChIInChI=1S/C14H17N5O/c20-13(11-4-2-1-3-5-11)17-14-16-12(18-19-14)10-6-8-15-9-7-10/h6-9,11H,1-5H2,(H2,16,17,18,19,20)
InChIKeyFHNMKTHKWQBUHT-UHFFFAOYSA-N
XLogP2.39
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide (CID 162655757) is N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide is O=C(Nc1n[nH]c(-c2ccncc2)n1)C1CCCCC1.
What is the InChIKey of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide?
The InChIKey is FHNMKTHKWQBUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-13(11-4-2-1-3-5-11)17-14-16-12(18-19-14)10-6-8-15-9-7-10/h6-9,11H,1-5H2,(H2,16,17,18,19,20).
What are the key properties of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide?
N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 162655757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).