5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine

C15H14N4 — CID 2951125

IUPAC5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(Nc3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
InChIKeyINDCVHFFYIEZRU-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.52
Rot. Bonds3

About 5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine

5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine (PubChem CID 2951125) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine
PubChem CID2951125
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(Nc3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
InChIKeyINDCVHFFYIEZRU-UHFFFAOYSA-N
XLogP3.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 855888
3,5-Bis(3-aminophenyl)-4H-1,2,4-triazol-4-amine
CID 5302316
3-(5-Phenyl-4h-1,2,4-Triazol-3-Yl)aniline
CID 33779314
N-[5-(2-aminophenyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine
CID 943408
3-Phenyl-5-p-tolyl-S-triazole
CID 134528
2-N-phenyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 661324
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 22493408
1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455298
2-[4-amino-5-(2-aminophenyl)-4H-1,2,4-triazol-3-yl]phenylamine
CID 3818607
1H-1,2,4-Triazole, 1,3,5-triphenyl-
CID 563249
5-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 747058
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CID 12267314

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine (CID 2951125) is 5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine is Cc1ccc(-c2nc(Nc3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine?
The InChIKey is INDCVHFFYIEZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19).
What are the key properties of 5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine?
5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine has a molecular weight of 250.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 2951125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).