5-amino-3-methylimidazol-4-ol

C4H7N3O — CID 174318314

IUPAC5-amino-3-methylimidazol-4-ol
SMILESCn1cnc(N)c1O
InChIInChI=1S/C4H7N3O/c1-7-2-6-3(5)4(7)8/h2,8H,5H2,1H3
InChIKeyXHNAHTNXSOPOIA-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.29
Rot. Bonds

About 5-amino-3-methylimidazol-4-ol

5-amino-3-methylimidazol-4-ol (PubChem CID 174318314) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-amino-3-methylimidazol-4-ol.

Molecular Properties

Compound Name5-amino-3-methylimidazol-4-ol
PubChem CID174318314
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name5-amino-3-methylimidazol-4-ol
SMILESCn1cnc(N)c1O
InChIInChI=1S/C4H7N3O/c1-7-2-6-3(5)4(7)8/h2,8H,5H2,1H3
InChIKeyXHNAHTNXSOPOIA-UHFFFAOYSA-N
XLogP-0.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methylimidazol-4-ol?
The IUPAC name of 5-amino-3-methylimidazol-4-ol (CID 174318314) is 5-amino-3-methylimidazol-4-ol.
What is the SMILES notation for 5-amino-3-methylimidazol-4-ol?
The canonical SMILES for 5-amino-3-methylimidazol-4-ol is Cn1cnc(N)c1O.
What is the InChIKey of 5-amino-3-methylimidazol-4-ol?
The InChIKey is XHNAHTNXSOPOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-7-2-6-3(5)4(7)8/h2,8H,5H2,1H3.
What are the key properties of 5-amino-3-methylimidazol-4-ol?
5-amino-3-methylimidazol-4-ol has a molecular weight of 113.12 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methylimidazol-4-ol is sourced from PubChem (CID 174318314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).