N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline

C17H17N5 — CID 14381183

IUPACN-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline
SMILESCc1nnn(/C(=N/Nc2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C17H17N5/c1-13-14(2)22(21-18-13)17(15-9-5-3-6-10-15)20-19-16-11-7-4-8-12-16/h3-12,19H,1-2H3/b20-17+
InChIKeyJQSFGBSATQAZBA-LVZFUZTISA-N
MW291.36 g/mol
LogP3.22
Rot. Bonds3

About N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline

N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline (PubChem CID 14381183) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline.

Molecular Properties

Compound NameN-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline
PubChem CID14381183
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC NameN-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline
SMILESCc1nnn(/C(=N/Nc2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C17H17N5/c1-13-14(2)22(21-18-13)17(15-9-5-3-6-10-15)20-19-16-11-7-4-8-12-16/h3-12,19H,1-2H3/b20-17+
InChIKeyJQSFGBSATQAZBA-LVZFUZTISA-N
XLogP3.22
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-diphenyl-1H-1,2,3-triazol-4-ylamine
CID 568784
1-((1Z)-1,2-diphenyl-2-azavinyl)-3,5-dimethylpyrazole
CID 3357892
4-(5-Methyl-4-phenyl-1H-1,2,3-triazol-1-yl)aniline
CID 13031171
5-methyl-1-(4-methylphenyl)-4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)triazole
CID 60144433
4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methyl-1-(4-methylphenyl)triazole
CID 60144434
5-Methyl-1,4-diphenyltriazole
CID 12663248
4-[5-(4-Carbamimidoylphenyl)-1-phenyl-triazol-4-yl]benzamidine
CID 71593941
N-[(E)-[(4,5-dimethyltriazol-2-yl)-phenylmethylidene]amino]aniline
CID 14381184
1H-1,2,3-Triazole, 4-methyl-1,5-diphenyl-
CID 281051
3-(4,5-Dimethyltriazol-2yl)-2,5 diphenyltetrazolium bromide
CID 22403012
2-(4,5-Dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium
CID 67359495
5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole
CID 70990590

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline?
The IUPAC name of N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline (CID 14381183) is N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline.
What is the SMILES notation for N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline?
The canonical SMILES for N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline is Cc1nnn(/C(=N/Nc2ccccc2)c2ccccc2)c1C.
What is the InChIKey of N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline?
The InChIKey is JQSFGBSATQAZBA-LVZFUZTISA-N. The full InChI is InChI=1S/C17H17N5/c1-13-14(2)22(21-18-13)17(15-9-5-3-6-10-15)20-19-16-11-7-4-8-12-16/h3-12,19H,1-2H3/b20-17+.
What are the key properties of N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline?
N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline has a molecular weight of 291.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline is sourced from PubChem (CID 14381183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).