1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine

C20H21ClN4O — CID 57057089

IUPAC1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine
SMILESCc1cc(C)c(CONC(=Cn2cncn2)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C20H21ClN4O/c1-14-8-15(2)18(16(3)9-14)11-26-24-20(10-25-13-22-12-23-25)17-6-4-5-7-19(17)21/h4-10,12-13,24H,11H2,1-3H3
InChIKeyZFEZYTPZRKXLGT-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.53
Rot. Bonds6

About 1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine

1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine (PubChem CID 57057089) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine
PubChem CID57057089
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine
SMILESCc1cc(C)c(CONC(=Cn2cncn2)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C20H21ClN4O/c1-14-8-15(2)18(16(3)9-14)11-26-24-20(10-25-13-22-12-23-25)17-6-4-5-7-19(17)21/h4-10,12-13,24H,11H2,1-3H3
InChIKeyZFEZYTPZRKXLGT-UHFFFAOYSA-N
XLogP4.53
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine
CID 57015366
1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole
CID 70539608
1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
CID 50988829
[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethenyl] acetate
CID 139894512
1-[2-(2,4-dichlorophenyl)-2-pentan-2-yloxyethenyl]-1,2,4-triazole
CID 70537048
1-[3,3-dimethyl-2-[5-(2-methylphenyl)pentoxy]but-1-enyl]-1,2,4-triazole
CID 70459117
[3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 115956314
1-[(E)-2-(2,4-difluorophenyl)-2-[2-(3-methylphenoxy)ethoxy]ethenyl]-1,2,4-triazole
CID 71536259
1-[2-chloro-4-(2,4,6-trimethylphenoxy)phenyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 90161958
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 31527310
2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide
CID 175718548
2-chloro-N-[(2R)-2-(1,2,4-triazol-1-yl)propyl]benzamide
CID 40501663

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine?
The IUPAC name of 1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine (CID 57057089) is 1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine?
The canonical SMILES for 1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine is Cc1cc(C)c(CONC(=Cn2cncn2)c2ccccc2Cl)c(C)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine?
The InChIKey is ZFEZYTPZRKXLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-14-8-15(2)18(16(3)9-14)11-26-24-20(10-25-13-22-12-23-25)17-6-4-5-7-19(17)21/h4-10,12-13,24H,11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine?
1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine has a molecular weight of 368.87 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine is sourced from PubChem (CID 57057089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).