(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine

C15H13BrN4 — CID 114686892

IUPAC(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H13BrN4/c16-12-8-6-11(7-9-12)15(17)14-10-18-19-20(14)13-4-2-1-3-5-13/h1-10,15H,17H2
InChIKeyLNBYPMQBPFOIOC-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.08
Rot. Bonds3

About (4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine

(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine (PubChem CID 114686892) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is (4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
PubChem CID114686892
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H13BrN4/c16-12-8-6-11(7-9-12)15(17)14-10-18-19-20(14)13-4-2-1-3-5-13/h1-10,15H,17H2
InChIKeyLNBYPMQBPFOIOC-UHFFFAOYSA-N
XLogP3.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-fluorophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114894453
(3-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043263
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043267
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688939
(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105043201
(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 103443749
(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine
CID 107969139
(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 114688571
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
(5-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanol
CID 115835877
(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
CID 107005033

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine (CID 114686892) is (4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine is NC(c1ccc(Br)cc1)c1cnnn1-c1ccccc1.
What is the InChIKey of (4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is LNBYPMQBPFOIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c16-12-8-6-11(7-9-12)15(17)14-10-18-19-20(14)13-4-2-1-3-5-13/h1-10,15H,17H2.
What are the key properties of (4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine?
(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 329.20 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 114686892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).