N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide

C16H18N4O — CID 131909357

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3CC=CCC3)c2)n[nH]1
InChIInChI=1S/C16H18N4O/c1-11-17-15(20-19-11)13-8-5-9-14(10-13)18-16(21)12-6-3-2-4-7-12/h2-3,5,8-10,12H,4,6-7H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyDPAOTSWLFGJENA-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.07
Rot. Bonds3

About N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 131909357) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID131909357
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3CC=CCC3)c2)n[nH]1
InChIInChI=1S/C16H18N4O/c1-11-17-15(20-19-11)13-8-5-9-14(10-13)18-16(21)12-6-3-2-4-7-12/h2-3,5,8-10,12H,4,6-7H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyDPAOTSWLFGJENA-UHFFFAOYSA-N
XLogP3.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 9166489
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 131923841
2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
(1S)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 136733997
2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934454
3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778390
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide (CID 131909357) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide is Cc1nc(-c2cccc(NC(=O)C3CC=CCC3)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is DPAOTSWLFGJENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-17-15(20-19-11)13-8-5-9-14(10-13)18-16(21)12-6-3-2-4-7-12/h2-3,5,8-10,12H,4,6-7H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 131909357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).