[2-(3-phenyltriazol-4-yl)phenyl]methanamine

C15H14N4 — CID 114689604

IUPAC[2-(3-phenyltriazol-4-yl)phenyl]methanamine
SMILESNCc1ccccc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C15H14N4/c16-10-12-6-4-5-9-14(12)15-11-17-18-19(15)13-7-2-1-3-8-13/h1-9,11H,10,16H2
InChIKeyBJJGVWLKXAZMQU-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.39
Rot. Bonds3

About [2-(3-phenyltriazol-4-yl)phenyl]methanamine

[2-(3-phenyltriazol-4-yl)phenyl]methanamine (PubChem CID 114689604) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is [2-(3-phenyltriazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-phenyltriazol-4-yl)phenyl]methanamine
PubChem CID114689604
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name[2-(3-phenyltriazol-4-yl)phenyl]methanamine
SMILESNCc1ccccc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C15H14N4/c16-10-12-6-4-5-9-14(12)15-11-17-18-19(15)13-7-2-1-3-8-13/h1-9,11H,10,16H2
InChIKeyBJJGVWLKXAZMQU-UHFFFAOYSA-N
XLogP2.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-phenylpyrazol-3-yl)phenyl]methanamine
CID 107330991
[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689803
5-(2-bromophenyl)-1-phenyltriazole
CID 146164567
[2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689828
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline
CID 107616039
1-methyl-5-(3-phenyltriazol-4-yl)triazole
CID 22215524
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole
CID 114689574
1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine
CID 114689809
1-phenyl-5-thiophen-2-yltriazole
CID 121010770
6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine
CID 106878720

Frequently Asked Questions

What is the IUPAC name of [2-(3-phenyltriazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-(3-phenyltriazol-4-yl)phenyl]methanamine (CID 114689604) is [2-(3-phenyltriazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3-phenyltriazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(3-phenyltriazol-4-yl)phenyl]methanamine is NCc1ccccc1-c1cnnn1-c1ccccc1.
What is the InChIKey of [2-(3-phenyltriazol-4-yl)phenyl]methanamine?
The InChIKey is BJJGVWLKXAZMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-10-12-6-4-5-9-14(12)15-11-17-18-19(15)13-7-2-1-3-8-13/h1-9,11H,10,16H2.
What are the key properties of [2-(3-phenyltriazol-4-yl)phenyl]methanamine?
[2-(3-phenyltriazol-4-yl)phenyl]methanamine has a molecular weight of 250.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenyltriazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 114689604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).