1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole

C9H7BrClN3 — CID 150398834

IUPAC1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole
SMILESCc1ncn(-c2ccc(Br)cc2Cl)n1
InChIInChI=1S/C9H7BrClN3/c1-6-12-5-14(13-6)9-3-2-7(10)4-8(9)11/h2-5H,1H3
InChIKeyHDIADVMSBWWZPH-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.99
Rot. Bonds1

About 1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole

1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole (PubChem CID 150398834) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole
PubChem CID150398834
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole
SMILESCc1ncn(-c2ccc(Br)cc2Cl)n1
InChIInChI=1S/C9H7BrClN3/c1-6-12-5-14(13-6)9-3-2-7(10)4-8(9)11/h2-5H,1H3
InChIKeyHDIADVMSBWWZPH-UHFFFAOYSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(3-methyl-1,2,4-triazol-1-yl)benzonitrile
CID 166607590
1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
CID 84713061
methyl 5-bromo-2-(3-methyl-1,2,4-triazol-1-yl)benzoate
CID 166607503
4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)aniline
CID 82512473
4-(4-bromo-2-chlorophenyl)-1,2,4-triazole
CID 84709540
1-(4-bromo-2-chlorophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 63953833
1-(2-bromo-3-methylphenyl)-3-methyl-1,2,4-triazole
CID 166607450
1-(5-iodo-2-methylphenyl)-3-methyl-1,2,4-triazole
CID 166607518
1-(2-iodophenyl)-3-methyl-1,2,4-triazole
CID 166607417
3-bromo-4-(3-methyl-1,2,4-triazol-1-yl)pyridine
CID 166607440
dimethyl 1-(4-bromo-2-chlorophenyl)pyrazole-3,4-dicarboxylate
CID 3589679
N-[[1-(4-bromo-2-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66206890

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole (CID 150398834) is 1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole is Cc1ncn(-c2ccc(Br)cc2Cl)n1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole?
The InChIKey is HDIADVMSBWWZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c1-6-12-5-14(13-6)9-3-2-7(10)4-8(9)11/h2-5H,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole?
1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole has a molecular weight of 272.53 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 150398834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).