N-Methyl-1H-imidazol-2-amine

C4H7N3 — CID 535820

IUPACN-methyl-1H-imidazol-2-amine
SMILESCNC1=NC=CN1
InChIInChI=1S/C4H7N3/c1-5-4-6-2-3-7-4/h2-3H,1H3,(H2,5,6,7)
InChIKeyZYXHZCQMCOVXJW-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.40
Rot. Bonds1

About N-Methyl-1H-imidazol-2-amine

N-Methyl-1H-imidazol-2-amine (PubChem CID 535820) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is N-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-Methyl-1H-imidazol-2-amine
PubChem CID535820
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC NameN-methyl-1H-imidazol-2-amine
SMILESCNC1=NC=CN1
InChIInChI=1S/C4H7N3/c1-5-4-6-2-3-7-4/h2-3H,1H3,(H2,5,6,7)
InChIKeyZYXHZCQMCOVXJW-UHFFFAOYSA-N
XLogP0.40
TPSA40.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity54

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Imidazole
CID 795
2-Nitroimidazole
CID 10701
2-Methylimidazole
CID 12749
1-Methylimidazole
CID 1390
Px-12
CID 219104
1H-Imidazole, 4-bromo-
CID 96125
2-Aminoimidazole
CID 82140
2-Ethylimidazole
CID 66130
2-Bromo-1H-imidazole
CID 2773261
Imidazolium chloride
CID 10197644
4-iodo-1H-imidazole
CID 606522
1-Methyl-1H-imidazol-2-amine
CID 566321

Frequently Asked Questions

What is the IUPAC name of N-Methyl-1H-imidazol-2-amine?
The IUPAC name of N-Methyl-1H-imidazol-2-amine (CID 535820) is N-methyl-1H-imidazol-2-amine.
What is the SMILES notation for N-Methyl-1H-imidazol-2-amine?
The canonical SMILES for N-Methyl-1H-imidazol-2-amine is CNC1=NC=CN1.
What is the InChIKey of N-Methyl-1H-imidazol-2-amine?
The InChIKey is ZYXHZCQMCOVXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-5-4-6-2-3-7-4/h2-3H,1H3,(H2,5,6,7).
What are the key properties of N-Methyl-1H-imidazol-2-amine?
N-Methyl-1H-imidazol-2-amine has a molecular weight of 97.12 g/mol, XLogP of 0.40, 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 is sourced from PubChem (CID 535820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).