5-bromo-2-methyl-1,2,4-triazol-3-amine

C3H5BrN4 — CID 127239989

IUPAC5-bromo-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(Br)nc1N
InChIInChI=1S/C3H5BrN4/c1-8-3(5)6-2(4)7-8/h1H3,(H2,5,6,7)
InChIKeyKXUVBUJQRLQSMU-UHFFFAOYSA-N
MW177.00 g/mol
LogP0.16
Rot. Bonds

About 5-bromo-2-methyl-1,2,4-triazol-3-amine

5-bromo-2-methyl-1,2,4-triazol-3-amine (PubChem CID 127239989) has the molecular formula C3H5BrN4 and a molecular weight of 177.00 g/mol. Its IUPAC name is 5-bromo-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-2-methyl-1,2,4-triazol-3-amine
PubChem CID127239989
Molecular FormulaC3H5BrN4
Molecular Weight177.00 g/mol
Exact Mass175.97
IUPAC Name5-bromo-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(Br)nc1N
InChIInChI=1S/C3H5BrN4/c1-8-3(5)6-2(4)7-8/h1H3,(H2,5,6,7)
InChIKeyKXUVBUJQRLQSMU-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-2-methyl-1,2,4-triazol-3-amine (CID 127239989) is 5-bromo-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-2-methyl-1,2,4-triazol-3-amine is Cn1nc(Br)nc1N.
What is the InChIKey of 5-bromo-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is KXUVBUJQRLQSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrN4/c1-8-3(5)6-2(4)7-8/h1H3,(H2,5,6,7).
What are the key properties of 5-bromo-2-methyl-1,2,4-triazol-3-amine?
5-bromo-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 177.00 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 127239989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).