N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide

C15H19N5O — CID 121198002

IUPACN-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1cn(-c2cccnc2)nn1)C1CCCCC1
InChIInChI=1S/C15H19N5O/c21-15(12-5-2-1-3-6-12)17-9-13-11-20(19-18-13)14-7-4-8-16-10-14/h4,7-8,10-12H,1-3,5-6,9H2,(H,17,21)
InChIKeyRJRZIHDZVHQXOO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.86
Rot. Bonds4

About N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide

N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide (PubChem CID 121198002) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
PubChem CID121198002
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1cn(-c2cccnc2)nn1)C1CCCCC1
InChIInChI=1S/C15H19N5O/c21-15(12-5-2-1-3-6-12)17-9-13-11-20(19-18-13)14-7-4-8-16-10-14/h4,7-8,10-12H,1-3,5-6,9H2,(H,17,21)
InChIKeyRJRZIHDZVHQXOO-UHFFFAOYSA-N
XLogP1.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide (CID 121198002) is N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide is O=C(NCc1cn(-c2cccnc2)nn1)C1CCCCC1.
What is the InChIKey of N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide?
The InChIKey is RJRZIHDZVHQXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(12-5-2-1-3-6-12)17-9-13-11-20(19-18-13)14-7-4-8-16-10-14/h4,7-8,10-12H,1-3,5-6,9H2,(H,17,21).
What are the key properties of N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide?
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 121198002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).