2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine

C6H11BrN4 — CID 84684303

IUPAC2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(CN)c1nc(Br)nn1C
InChIInChI=1S/C6H11BrN4/c1-4(3-8)5-9-6(7)10-11(5)2/h4H,3,8H2,1-2H3
InChIKeyYXSHQYOLZGFRFB-UHFFFAOYSA-N
MW219.09 g/mol
LogP0.64
Rot. Bonds2

About 2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine

2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 84684303) has the molecular formula C6H11BrN4 and a molecular weight of 219.09 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID84684303
Molecular FormulaC6H11BrN4
Molecular Weight219.09 g/mol
Exact Mass218.02
IUPAC Name2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(CN)c1nc(Br)nn1C
InChIInChI=1S/C6H11BrN4/c1-4(3-8)5-9-6(7)10-11(5)2/h4H,3,8H2,1-2H3
InChIKeyYXSHQYOLZGFRFB-UHFFFAOYSA-N
XLogP0.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine 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

3-bromo-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 75488615
(1R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanol
CID 163231942
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62720886
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62723069
2-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
CID 75493399
2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine
CID 84785906
3-bromo-1-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazole
CID 83895889
3-bromo-5-chloro-1-methyl-1,2,4-triazole
CID 83678637
4-methyl-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
CID 115825202
2-(3-methylimidazo[4,5-c]pyridin-2-yl)propan-1-amine
CID 83858107
2-(2-ethyltetrazol-5-yl)propan-1-amine
CID 84763606
6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine
CID 65284962

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine (CID 84684303) is 2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine is CC(CN)c1nc(Br)nn1C.
What is the InChIKey of 2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is YXSHQYOLZGFRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN4/c1-4(3-8)5-9-6(7)10-11(5)2/h4H,3,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 219.09 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 84684303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).