N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide

C16H20N4O — CID 110874254

IUPACN-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1cnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H20N4O/c21-16(13-7-3-1-4-8-13)17-11-15-12-18-19-20(15)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H,17,21)
InChIKeyBGBXCJLQLUGTKN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.46
Rot. Bonds4

About N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide

N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide (PubChem CID 110874254) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide
PubChem CID110874254
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1cnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H20N4O/c21-16(13-7-3-1-4-8-13)17-11-15-12-18-19-20(15)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H,17,21)
InChIKeyBGBXCJLQLUGTKN-UHFFFAOYSA-N
XLogP2.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 835634
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CID 730128
N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide
CID 146422801
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002
N-phenacylcyclohexanecarboxamide
CID 54070217
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CID 110874281
(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 97126070
N-[(3-phenyltriazol-4-yl)methyl]propan-1-amine
CID 114687766
2-(3-phenyltriazol-4-yl)ethanol
CID 24754561
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide
CID 9327240
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110717356

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide (CID 110874254) is N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide is O=C(NCc1cnnn1-c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide?
The InChIKey is BGBXCJLQLUGTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(13-7-3-1-4-8-13)17-11-15-12-18-19-20(15)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H,17,21).
What are the key properties of N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide?
N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 110874254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).