N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide

C17H20N4O — CID 9120296

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H20N4O/c22-17(19-11-10-14-4-2-1-3-5-14)15-6-8-16(9-7-15)21-13-18-12-20-21/h4,6-9,12-13H,1-3,5,10-11H2,(H,19,22)
InChIKeyGDTBMPOMJFFUBX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 9120296) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID9120296
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H20N4O/c22-17(19-11-10-14-4-2-1-3-5-14)15-6-8-16(9-7-15)21-13-18-12-20-21/h4,6-9,12-13H,1-3,5,10-11H2,(H,19,22)
InChIKeyGDTBMPOMJFFUBX-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1H-tetrazol-1-yl)phenyl]ethanone
CID 716433
N-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
4-(1H-1,2,4-triazol-1-yl)benzaldehyde
CID 2776488
N-(4-acetylphenyl)-N'-[1-(3-methylbenzyl)-1H-1,2,4-triazol-3-yl]urea
CID 2207551
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
CID 6460430
(E)-3-(2-fluorophenyl)-N-[(1S)-1-[3-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 10019891
1-(4-Benzoyl-2-methyl-piperazin-1-yl)-2-(4-[1,2,4]triazol-1-yl-phenyl)-ethane-1,2-dione
CID 24994153
N-[2-Methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenyl]-4-[1,2,4]triazol-1-yl-benzamide
CID 25266935
4-(1H-tetrazol-1-yl)benzohydrazide
CID 2114009
N-[4-methyl-3-(1H-tetraazol-1-yl)phenyl]benzamide
CID 855937

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 9120296) is N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(NCCC1=CCCCC1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is GDTBMPOMJFFUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(19-11-10-14-4-2-1-3-5-14)15-6-8-16(9-7-15)21-13-18-12-20-21/h4,6-9,12-13H,1-3,5,10-11H2,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 9120296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).