N-methyl-1H-imidazol-2-amine;hydrochloride

C4H8ClN3 — CID 86811569

IUPACN-methyl-1H-imidazol-2-amine;hydrochloride
SMILESCNc1ncc[nH]1.Cl
InChIInChI=1S/C4H7N3.ClH/c1-5-4-6-2-3-7-4;/h2-3H,1H3,(H2,5,6,7);1H
InChIKeyLTNQBWDBTRVJSC-UHFFFAOYSA-N
MW133.58 g/mol
LogP0.87
Rot. Bonds1

About N-methyl-1H-imidazol-2-amine;hydrochloride

N-methyl-1H-imidazol-2-amine;hydrochloride (PubChem CID 86811569) has the molecular formula C4H8ClN3 and a molecular weight of 133.58 g/mol. Its IUPAC name is N-methyl-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1H-imidazol-2-amine;hydrochloride
PubChem CID86811569
Molecular FormulaC4H8ClN3
Molecular Weight133.58 g/mol
Exact Mass133.04
IUPAC NameN-methyl-1H-imidazol-2-amine;hydrochloride
SMILESCNc1ncc[nH]1.Cl
InChIInChI=1S/C4H7N3.ClH/c1-5-4-6-2-3-7-4;/h2-3H,1H3,(H2,5,6,7);1H
InChIKeyLTNQBWDBTRVJSC-UHFFFAOYSA-N
XLogP0.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-methyl-1H-imidazol-2-amine;hydrochloride (CID 86811569) is N-methyl-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-methyl-1H-imidazol-2-amine;hydrochloride is CNc1ncc[nH]1.Cl.
What is the InChIKey of N-methyl-1H-imidazol-2-amine;hydrochloride?
The InChIKey is LTNQBWDBTRVJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.ClH/c1-5-4-6-2-3-7-4;/h2-3H,1H3,(H2,5,6,7);1H.
What are the key properties of N-methyl-1H-imidazol-2-amine;hydrochloride?
N-methyl-1H-imidazol-2-amine;hydrochloride has a molecular weight of 133.58 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 86811569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).