5-bromo-1-cyclopropyl-1,2,4-triazole

C5H6BrN3 — CID 155095314

IUPAC5-bromo-1-cyclopropyl-1,2,4-triazole
SMILESBrc1ncnn1C1CC1
InChIInChI=1S/C5H6BrN3/c6-5-7-3-8-9(5)4-1-2-4/h3-4H,1-2H2
InChIKeyKJAWPWAUYQKLHE-UHFFFAOYSA-N
MW188.03 g/mol
LogP1.38
Rot. Bonds1

About 5-bromo-1-cyclopropyl-1,2,4-triazole

5-bromo-1-cyclopropyl-1,2,4-triazole (PubChem CID 155095314) has the molecular formula C5H6BrN3 and a molecular weight of 188.03 g/mol. Its IUPAC name is 5-bromo-1-cyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name5-bromo-1-cyclopropyl-1,2,4-triazole
PubChem CID155095314
Molecular FormulaC5H6BrN3
Molecular Weight188.03 g/mol
Exact Mass186.97
IUPAC Name5-bromo-1-cyclopropyl-1,2,4-triazole
SMILESBrc1ncnn1C1CC1
InChIInChI=1S/C5H6BrN3/c6-5-7-3-8-9(5)4-1-2-4/h3-4H,1-2H2
InChIKeyKJAWPWAUYQKLHE-UHFFFAOYSA-N
XLogP1.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-cyclopropyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(propan-2-yl)-1H-1,2,4-triazole
CID 12762443
5-Bromo-1-Ethyl-1H-1,2,4-Triazole
CID 590265
5-Bromo-1-propyl-1H-1,2,4-triazole
CID 71371139
4-Cyclopropyl-4H-1,2,4-triazole
CID 12888377
5-bromo-1-(2-methylpropyl)-1H-1,2,4-triazole
CID 83638264
3-bromo-1-(propan-2-yl)-1H-1,2,4-triazole
CID 119053456
5-bromo-1-(cyclopropylmethyl)-1H-1,2,4-triazole
CID 131273102
3-bromo-4-(propan-2-yl)-4H-1,2,4-triazole
CID 155819679
5-bromo-1-(propan-2-yl)-1H-1,2,4-triazole
CID 13624271
1-cyclopropyl-1H-1,2,4-triazol-3-amine
CID 84647813
3-bromo-4-cyclopropyl-4H-1,2,4-triazole
CID 132398554
3-bromo-1-(2-fluoroethyl)-1H-1,2,4-triazole
CID 84665186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopropyl-1,2,4-triazole?
The IUPAC name of 5-bromo-1-cyclopropyl-1,2,4-triazole (CID 155095314) is 5-bromo-1-cyclopropyl-1,2,4-triazole.
What is the SMILES notation for 5-bromo-1-cyclopropyl-1,2,4-triazole?
The canonical SMILES for 5-bromo-1-cyclopropyl-1,2,4-triazole is Brc1ncnn1C1CC1.
What is the InChIKey of 5-bromo-1-cyclopropyl-1,2,4-triazole?
The InChIKey is KJAWPWAUYQKLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3/c6-5-7-3-8-9(5)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 5-bromo-1-cyclopropyl-1,2,4-triazole?
5-bromo-1-cyclopropyl-1,2,4-triazole has a molecular weight of 188.03 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopropyl-1,2,4-triazole is sourced from PubChem (CID 155095314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).