4-(5-methyl-4-phenyltriazol-1-yl)aniline

C15H14N4 — CID 13031171

IUPAC4-(5-methyl-4-phenyltriazol-1-yl)aniline
SMILESCc1c(-c2ccccc2)nnn1-c1ccc(N)cc1
InChIInChI=1S/C15H14N4/c1-11-15(12-5-3-2-4-6-12)17-18-19(11)14-9-7-13(16)8-10-14/h2-10H,16H2,1H3
InChIKeyZJJODMWSRDYXER-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.82
Rot. Bonds2

About 4-(5-methyl-4-phenyltriazol-1-yl)aniline

4-(5-methyl-4-phenyltriazol-1-yl)aniline (PubChem CID 13031171) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-(5-methyl-4-phenyltriazol-1-yl)aniline.

Molecular Properties

Compound Name4-(5-methyl-4-phenyltriazol-1-yl)aniline
PubChem CID13031171
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-(5-methyl-4-phenyltriazol-1-yl)aniline
SMILESCc1c(-c2ccccc2)nnn1-c1ccc(N)cc1
InChIInChI=1S/C15H14N4/c1-11-15(12-5-3-2-4-6-12)17-18-19(11)14-9-7-13(16)8-10-14/h2-10H,16H2,1H3
InChIKeyZJJODMWSRDYXER-UHFFFAOYSA-N
XLogP2.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-phenyltriazol-1-yl)aniline?
The IUPAC name of 4-(5-methyl-4-phenyltriazol-1-yl)aniline (CID 13031171) is 4-(5-methyl-4-phenyltriazol-1-yl)aniline.
What is the SMILES notation for 4-(5-methyl-4-phenyltriazol-1-yl)aniline?
The canonical SMILES for 4-(5-methyl-4-phenyltriazol-1-yl)aniline is Cc1c(-c2ccccc2)nnn1-c1ccc(N)cc1.
What is the InChIKey of 4-(5-methyl-4-phenyltriazol-1-yl)aniline?
The InChIKey is ZJJODMWSRDYXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-15(12-5-3-2-4-6-12)17-18-19(11)14-9-7-13(16)8-10-14/h2-10H,16H2,1H3.
What are the key properties of 4-(5-methyl-4-phenyltriazol-1-yl)aniline?
4-(5-methyl-4-phenyltriazol-1-yl)aniline has a molecular weight of 250.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-phenyltriazol-1-yl)aniline is sourced from PubChem (CID 13031171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).