(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone

C15H9Br2N3O — CID 107977415

IUPAC(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H9Br2N3O/c16-11-6-10(7-12(17)8-11)15(21)14-9-18-19-20(14)13-4-2-1-3-5-13/h1-9H
InChIKeyADGFMKCBLCGQNK-UHFFFAOYSA-N
MW407.07 g/mol
LogP4.02
Rot. Bonds3

About (3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone

(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone (PubChem CID 107977415) has the molecular formula C15H9Br2N3O and a molecular weight of 407.07 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone
PubChem CID107977415
Molecular FormulaC15H9Br2N3O
Molecular Weight407.07 g/mol
Exact Mass404.91
IUPAC Name(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H9Br2N3O/c16-11-6-10(7-12(17)8-11)15(21)14-9-18-19-20(14)13-4-2-1-3-5-13/h1-9H
InChIKeyADGFMKCBLCGQNK-UHFFFAOYSA-N
XLogP4.02
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.07
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685691
(5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanone
CID 105131212
(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691795
(3-fluoro-5-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114686118
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
(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-chlorophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691830
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
(2-chloro-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 106865176
(2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685541

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone (CID 107977415) is (3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone is O=C(c1cc(Br)cc(Br)c1)c1cnnn1-c1ccccc1.
What is the InChIKey of (3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone?
The InChIKey is ADGFMKCBLCGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2N3O/c16-11-6-10(7-12(17)8-11)15(21)14-9-18-19-20(14)13-4-2-1-3-5-13/h1-9H.
What are the key properties of (3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone?
(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone has a molecular weight of 407.07 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 107977415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).