(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine

C15H13ClN4 — CID 105099586

IUPAC(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine
SMILESNC(c1cnn(-c2ccccc2)n1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN4/c16-13-9-5-4-8-12(13)15(17)14-10-18-20(19-14)11-6-2-1-3-7-11/h1-10,15H,17H2
InChIKeyIYBRDXREOQNALF-UHFFFAOYSA-N
MW284.75 g/mol
LogP2.97
Rot. Bonds3

About (2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine

(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine (PubChem CID 105099586) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine
PubChem CID105099586
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine
SMILESNC(c1cnn(-c2ccccc2)n1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN4/c16-13-9-5-4-8-12(13)15(17)14-10-18-20(19-14)11-6-2-1-3-7-11/h1-10,15H,17H2
InChIKeyIYBRDXREOQNALF-UHFFFAOYSA-N
XLogP2.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105157346
(3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine
CID 105150494
2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105135061
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
(1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol
CID 25323176
[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105292082
(1R,2S,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol
CID 98149039
4-pentan-2-yl-2-phenyltriazole
CID 163429787
1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
CID 105088239
[cyclopentyl-(2-phenyltriazol-4-yl)methyl]hydrazine
CID 105282381
4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 105091547
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105099807

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine?
The IUPAC name of (2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine (CID 105099586) is (2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine is NC(c1cnn(-c2ccccc2)n1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine?
The InChIKey is IYBRDXREOQNALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-13-9-5-4-8-12(13)15(17)14-10-18-20(19-14)11-6-2-1-3-7-11/h1-10,15H,17H2.
What are the key properties of (2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine?
(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine has a molecular weight of 284.75 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 105099586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).