4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole

C11H9Br2N3 — CID 107944051

IUPAC4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole
SMILESBrc1ccc(-c2nncn2C2CC2)c(Br)c1
InChIInChI=1S/C11H9Br2N3/c12-7-1-4-9(10(13)5-7)11-15-14-6-16(11)8-2-3-8/h1,4-6,8H,2-3H2
InChIKeySLNMUIYLMHHOGA-UHFFFAOYSA-N
MW343.02 g/mol
LogP3.81
Rot. Bonds2

About 4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole

4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole (PubChem CID 107944051) has the molecular formula C11H9Br2N3 and a molecular weight of 343.02 g/mol. Its IUPAC name is 4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole
PubChem CID107944051
Molecular FormulaC11H9Br2N3
Molecular Weight343.02 g/mol
Exact Mass340.92
IUPAC Name4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole
SMILESBrc1ccc(-c2nncn2C2CC2)c(Br)c1
InChIInChI=1S/C11H9Br2N3/c12-7-1-4-9(10(13)5-7)11-15-14-6-16(11)8-2-3-8/h1,4-6,8H,2-3H2
InChIKeySLNMUIYLMHHOGA-UHFFFAOYSA-N
XLogP3.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.02
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-3-methylphenyl)-4-cyclopropyl-1,2,4-triazole
CID 107984344
4-cyclopropyl-5-(2,4-dibromophenyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107944168
3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluoroaniline
CID 62696432
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63110904
3-(4-chloro-2,5-difluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 82773685
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline
CID 62694901
4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole
CID 115394164
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoroaniline
CID 62709909
3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 115394081
5-bromo-1-cyclopropylbenzimidazole
CID 82496945
3-(1-benzothiophen-3-yl)-4-cyclopropyl-1,2,4-triazole
CID 115394139
4-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 107209647

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole (CID 107944051) is 4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole is Brc1ccc(-c2nncn2C2CC2)c(Br)c1.
What is the InChIKey of 4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole?
The InChIKey is SLNMUIYLMHHOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3/c12-7-1-4-9(10(13)5-7)11-15-14-6-16(11)8-2-3-8/h1,4-6,8H,2-3H2.
What are the key properties of 4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole?
4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole has a molecular weight of 343.02 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(2,4-dibromophenyl)-1,2,4-triazole is sourced from PubChem (CID 107944051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).