5-bromo-4-methyltriazol-1-amine

C3H5BrN4 — CID 166960651

IUPAC5-bromo-4-methyltriazol-1-amine
SMILESCc1nnn(N)c1Br
InChIInChI=1S/C3H5BrN4/c1-2-3(4)8(5)7-6-2/h5H2,1H3
InChIKeyGECGNPCIPQJLCH-UHFFFAOYSA-N
MW177.00 g/mol
LogP0.06
Rot. Bonds

About 5-bromo-4-methyltriazol-1-amine

5-bromo-4-methyltriazol-1-amine (PubChem CID 166960651) has the molecular formula C3H5BrN4 and a molecular weight of 177.00 g/mol. Its IUPAC name is 5-bromo-4-methyltriazol-1-amine.

Molecular Properties

Compound Name5-bromo-4-methyltriazol-1-amine
PubChem CID166960651
Molecular FormulaC3H5BrN4
Molecular Weight177.00 g/mol
Exact Mass175.97
IUPAC Name5-bromo-4-methyltriazol-1-amine
SMILESCc1nnn(N)c1Br
InChIInChI=1S/C3H5BrN4/c1-2-3(4)8(5)7-6-2/h5H2,1H3
InChIKeyGECGNPCIPQJLCH-UHFFFAOYSA-N
XLogP0.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.00
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyltriazol-1-amine?
The IUPAC name of 5-bromo-4-methyltriazol-1-amine (CID 166960651) is 5-bromo-4-methyltriazol-1-amine.
What is the SMILES notation for 5-bromo-4-methyltriazol-1-amine?
The canonical SMILES for 5-bromo-4-methyltriazol-1-amine is Cc1nnn(N)c1Br.
What is the InChIKey of 5-bromo-4-methyltriazol-1-amine?
The InChIKey is GECGNPCIPQJLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrN4/c1-2-3(4)8(5)7-6-2/h5H2,1H3.
What are the key properties of 5-bromo-4-methyltriazol-1-amine?
5-bromo-4-methyltriazol-1-amine has a molecular weight of 177.00 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyltriazol-1-amine is sourced from PubChem (CID 166960651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).