2-methyltriazol-4-amine;hydrobromide

C3H7BrN4 — CID 91828094

IUPAC2-methyltriazol-4-amine;hydrobromide
SMILESBr.Cn1ncc(N)n1
InChIInChI=1S/C3H6N4.BrH/c1-7-5-2-3(4)6-7;/h2H,1H3,(H2,4,6);1H
InChIKeyGMCDZVXZCPDXIO-UHFFFAOYSA-N
MW179.02 g/mol
LogP-0.02
Rot. Bonds

About 2-methyltriazol-4-amine;hydrobromide

2-methyltriazol-4-amine;hydrobromide (PubChem CID 91828094) has the molecular formula C3H7BrN4 and a molecular weight of 179.02 g/mol. Its IUPAC name is 2-methyltriazol-4-amine;hydrobromide.

Molecular Properties

Compound Name2-methyltriazol-4-amine;hydrobromide
PubChem CID91828094
Molecular FormulaC3H7BrN4
Molecular Weight179.02 g/mol
Exact Mass177.99
IUPAC Name2-methyltriazol-4-amine;hydrobromide
SMILESBr.Cn1ncc(N)n1
InChIInChI=1S/C3H6N4.BrH/c1-7-5-2-3(4)6-7;/h2H,1H3,(H2,4,6);1H
InChIKeyGMCDZVXZCPDXIO-UHFFFAOYSA-N
XLogP-0.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.02
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyltriazol-4-amine;hydrobromide?
The IUPAC name of 2-methyltriazol-4-amine;hydrobromide (CID 91828094) is 2-methyltriazol-4-amine;hydrobromide.
What is the SMILES notation for 2-methyltriazol-4-amine;hydrobromide?
The canonical SMILES for 2-methyltriazol-4-amine;hydrobromide is Br.Cn1ncc(N)n1.
What is the InChIKey of 2-methyltriazol-4-amine;hydrobromide?
The InChIKey is GMCDZVXZCPDXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.BrH/c1-7-5-2-3(4)6-7;/h2H,1H3,(H2,4,6);1H.
What are the key properties of 2-methyltriazol-4-amine;hydrobromide?
2-methyltriazol-4-amine;hydrobromide has a molecular weight of 179.02 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltriazol-4-amine;hydrobromide is sourced from PubChem (CID 91828094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).