(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone

C15H10BrN3O — CID 114685691

IUPAC(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
SMILESO=C(c1ccccc1Br)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H10BrN3O/c16-13-9-5-4-8-12(13)15(20)14-10-17-18-19(14)11-6-2-1-3-7-11/h1-10H
InChIKeyGGSABAVWFFTIMH-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.26
Rot. Bonds3

About (2-bromophenyl)-(3-phenyltriazol-4-yl)methanone

(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone (PubChem CID 114685691) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is (2-bromophenyl)-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
PubChem CID114685691
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
SMILESO=C(c1ccccc1Br)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H10BrN3O/c16-13-9-5-4-8-12(13)15(20)14-10-17-18-19(14)11-6-2-1-3-7-11/h1-10H
InChIKeyGGSABAVWFFTIMH-UHFFFAOYSA-N
XLogP3.26
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 107977415
(2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685541
(5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanone
CID 105131212
(3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114686157
(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691795
(5-fluoro-2-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685719
(2-chloro-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 106865176
(5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanone
CID 115806451
(3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105131202
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114685792

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of (2-bromophenyl)-(3-phenyltriazol-4-yl)methanone (CID 114685691) is (2-bromophenyl)-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(3-phenyltriazol-4-yl)methanone is O=C(c1ccccc1Br)c1cnnn1-c1ccccc1.
What is the InChIKey of (2-bromophenyl)-(3-phenyltriazol-4-yl)methanone?
The InChIKey is GGSABAVWFFTIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-13-9-5-4-8-12(13)15(20)14-10-17-18-19(14)11-6-2-1-3-7-11/h1-10H.
What are the key properties of (2-bromophenyl)-(3-phenyltriazol-4-yl)methanone?
(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone has a molecular weight of 328.17 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 114685691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).