1-methylimidazol-2-amine

C4H7N3 — CID 566321

IUPAC1-methylimidazol-2-amine
SMILESCn1ccnc1N
InChIInChI=1S/C4H7N3/c1-7-3-2-6-4(7)5/h2-3H,1H3,(H2,5,6)
InChIKeyNQCJWEXYVVFKBT-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.00
Rot. Bonds

About 1-methylimidazol-2-amine

1-methylimidazol-2-amine (PubChem CID 566321) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 1-methylimidazol-2-amine.

Molecular Properties

Compound Name1-methylimidazol-2-amine
PubChem CID566321
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name1-methylimidazol-2-amine
SMILESCn1ccnc1N
InChIInChI=1S/C4H7N3/c1-7-3-2-6-4(7)5/h2-3H,1H3,(H2,5,6)
InChIKeyNQCJWEXYVVFKBT-UHFFFAOYSA-N
XLogP0.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazol-2-amine?
The IUPAC name of 1-methylimidazol-2-amine (CID 566321) is 1-methylimidazol-2-amine.
What is the SMILES notation for 1-methylimidazol-2-amine?
The canonical SMILES for 1-methylimidazol-2-amine is Cn1ccnc1N.
What is the InChIKey of 1-methylimidazol-2-amine?
The InChIKey is NQCJWEXYVVFKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-7-3-2-6-4(7)5/h2-3H,1H3,(H2,5,6).
What are the key properties of 1-methylimidazol-2-amine?
1-methylimidazol-2-amine has a molecular weight of 97.12 g/mol, XLogP of 0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazol-2-amine is sourced from PubChem (CID 566321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).