1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine

C7H13BrN4 — CID 170600157

IUPAC1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1nn(C)nc1Br
InChIInChI=1S/C7H13BrN4/c1-4-5(9-2)6-7(8)11-12(3)10-6/h5,9H,4H2,1-3H3
InChIKeyIHNMYCPZLFESKS-UHFFFAOYSA-N
MW233.11 g/mol
LogP1.25
Rot. Bonds3

About 1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine

1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine (PubChem CID 170600157) has the molecular formula C7H13BrN4 and a molecular weight of 233.11 g/mol. Its IUPAC name is 1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine
PubChem CID170600157
Molecular FormulaC7H13BrN4
Molecular Weight233.11 g/mol
Exact Mass232.03
IUPAC Name1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1nn(C)nc1Br
InChIInChI=1S/C7H13BrN4/c1-4-5(9-2)6-7(8)11-12(3)10-6/h5,9H,4H2,1-3H3
InChIKeyIHNMYCPZLFESKS-UHFFFAOYSA-N
XLogP1.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine (CID 170600157) is 1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine is CCC(NC)c1nn(C)nc1Br.
What is the InChIKey of 1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine?
The InChIKey is IHNMYCPZLFESKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN4/c1-4-5(9-2)6-7(8)11-12(3)10-6/h5,9H,4H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine?
1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine has a molecular weight of 233.11 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methyltriazol-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 170600157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).