[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine

C14H19N5 — CID 81096122

IUPAC[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nncn2C2CCCCC2)nc1
InChIInChI=1S/C14H19N5/c15-8-11-6-7-13(16-9-11)14-18-17-10-19(14)12-4-2-1-3-5-12/h6-7,9-10,12H,1-5,8,15H2
InChIKeyJQVUWLJUOMMBFC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.30
Rot. Bonds3

About [6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine

[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine (PubChem CID 81096122) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is [6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine
PubChem CID81096122
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nncn2C2CCCCC2)nc1
InChIInChI=1S/C14H19N5/c15-8-11-6-7-13(16-9-11)14-18-17-10-19(14)12-4-2-1-3-5-12/h6-7,9-10,12H,1-5,8,15H2
InChIKeyJQVUWLJUOMMBFC-UHFFFAOYSA-N
XLogP2.30
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine (CID 81096122) is [6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine is NCc1ccc(-c2nncn2C2CCCCC2)nc1.
What is the InChIKey of [6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine?
The InChIKey is JQVUWLJUOMMBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-8-11-6-7-13(16-9-11)14-18-17-10-19(14)12-4-2-1-3-5-12/h6-7,9-10,12H,1-5,8,15H2.
What are the key properties of [6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine?
[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81096122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).