3-methyl-2H-imidazol-1-amine;hydrobromide

C4H10BrN3 — CID 175511676

IUPAC3-methyl-2H-imidazol-1-amine;hydrobromide
SMILESBr.CN1C=CN(N)C1
InChIInChI=1S/C4H9N3.BrH/c1-6-2-3-7(5)4-6;/h2-3H,4-5H2,1H3;1H
InChIKeySBKZGLNNHBNLII-UHFFFAOYSA-N
MW180.05 g/mol
LogP0.11
Rot. Bonds

About 3-methyl-2H-imidazol-1-amine;hydrobromide

3-methyl-2H-imidazol-1-amine;hydrobromide (PubChem CID 175511676) has the molecular formula C4H10BrN3 and a molecular weight of 180.05 g/mol. Its IUPAC name is 3-methyl-2H-imidazol-1-amine;hydrobromide.

Molecular Properties

Compound Name3-methyl-2H-imidazol-1-amine;hydrobromide
PubChem CID175511676
Molecular FormulaC4H10BrN3
Molecular Weight180.05 g/mol
Exact Mass179.01
IUPAC Name3-methyl-2H-imidazol-1-amine;hydrobromide
SMILESBr.CN1C=CN(N)C1
InChIInChI=1S/C4H9N3.BrH/c1-6-2-3-7(5)4-6;/h2-3H,4-5H2,1H3;1H
InChIKeySBKZGLNNHBNLII-UHFFFAOYSA-N
XLogP0.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-imidazol-1-amine;hydrobromide?
The IUPAC name of 3-methyl-2H-imidazol-1-amine;hydrobromide (CID 175511676) is 3-methyl-2H-imidazol-1-amine;hydrobromide.
What is the SMILES notation for 3-methyl-2H-imidazol-1-amine;hydrobromide?
The canonical SMILES for 3-methyl-2H-imidazol-1-amine;hydrobromide is Br.CN1C=CN(N)C1.
What is the InChIKey of 3-methyl-2H-imidazol-1-amine;hydrobromide?
The InChIKey is SBKZGLNNHBNLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3.BrH/c1-6-2-3-7(5)4-6;/h2-3H,4-5H2,1H3;1H.
What are the key properties of 3-methyl-2H-imidazol-1-amine;hydrobromide?
3-methyl-2H-imidazol-1-amine;hydrobromide has a molecular weight of 180.05 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-imidazol-1-amine;hydrobromide is sourced from PubChem (CID 175511676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).