(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine

C23H20N4 — CID 15499601

IUPAC(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
SMILESCc1cccc(-c2nnc(-c3cccc(C)c3)n2/N=C/c2ccccc2)c1
InChIInChI=1S/C23H20N4/c1-17-8-6-12-20(14-17)22-25-26-23(21-13-7-9-18(2)15-21)27(22)24-16-19-10-4-3-5-11-19/h3-16H,1-2H3/b24-16+
InChIKeyJJMSETAJCRXCJP-LFVJCYFKSA-N
MW352.44 g/mol
LogP5.11
Rot. Bonds4

About (E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine

(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine (PubChem CID 15499601) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is (E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
PubChem CID15499601
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
SMILESCc1cccc(-c2nnc(-c3cccc(C)c3)n2/N=C/c2ccccc2)c1
InChIInChI=1S/C23H20N4/c1-17-8-6-12-20(14-17)22-25-26-23(21-13-7-9-18(2)15-21)27(22)24-16-19-10-4-3-5-11-19/h3-16H,1-2H3/b24-16+
InChIKeyJJMSETAJCRXCJP-LFVJCYFKSA-N
XLogP5.11
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine
CID 761592
N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine
CID 786981
3-(3-methylphenyl)-4-[(3-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 929573
(E)-N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 11647302
4-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 5425222
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
4-[(Z)-(4-ethylphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 5425221
4-[(E)-(3-fluorophenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 6879869
1-(benzylideneamino)-4,6-dimethylpyridin-2-one
CID 909651
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
3-(3-methylphenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 6879587
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine
CID 3242741

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine?
The IUPAC name of (E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine (CID 15499601) is (E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine.
What is the SMILES notation for (E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine?
The canonical SMILES for (E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine is Cc1cccc(-c2nnc(-c3cccc(C)c3)n2/N=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine?
The InChIKey is JJMSETAJCRXCJP-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H20N4/c1-17-8-6-12-20(14-17)22-25-26-23(21-13-7-9-18(2)15-21)27(22)24-16-19-10-4-3-5-11-19/h3-16H,1-2H3/b24-16+.
What are the key properties of (E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine?
(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine has a molecular weight of 352.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine is sourced from PubChem (CID 15499601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).