5-methyl-1H-imidazol-4-amine

C4H7N3 — CID 13016706

IUPAC5-methyl-1H-imidazol-4-amine
SMILESCc1[nH]cnc1N
InChIInChI=1S/C4H7N3/c1-3-4(5)7-2-6-3/h2H,5H2,1H3,(H,6,7)
InChIKeyXVZKKIYWHYCKLD-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.30
Rot. Bonds

About 5-methyl-1H-imidazol-4-amine

5-methyl-1H-imidazol-4-amine (PubChem CID 13016706) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 5-methyl-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-methyl-1H-imidazol-4-amine
PubChem CID13016706
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name5-methyl-1H-imidazol-4-amine
SMILESCc1[nH]cnc1N
InChIInChI=1S/C4H7N3/c1-3-4(5)7-2-6-3/h2H,5H2,1H3,(H,6,7)
InChIKeyXVZKKIYWHYCKLD-UHFFFAOYSA-N
XLogP0.30
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazol-4-amine?
The IUPAC name of 5-methyl-1H-imidazol-4-amine (CID 13016706) is 5-methyl-1H-imidazol-4-amine.
What is the SMILES notation for 5-methyl-1H-imidazol-4-amine?
The canonical SMILES for 5-methyl-1H-imidazol-4-amine is Cc1[nH]cnc1N.
What is the InChIKey of 5-methyl-1H-imidazol-4-amine?
The InChIKey is XVZKKIYWHYCKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-3-4(5)7-2-6-3/h2H,5H2,1H3,(H,6,7).
What are the key properties of 5-methyl-1H-imidazol-4-amine?
5-methyl-1H-imidazol-4-amine has a molecular weight of 97.12 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-imidazol-4-amine is sourced from PubChem (CID 13016706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).