2-amino-5-ethenyl-3-methylimidazol-4-ol

C6H9N3O — CID 45075986

IUPAC2-amino-5-ethenyl-3-methylimidazol-4-ol
SMILESC=Cc1nc(N)n(C)c1O
InChIInChI=1S/C6H9N3O/c1-3-4-5(10)9(2)6(7)8-4/h3,10H,1H2,2H3,(H2,7,8)
InChIKeyIQLGSGLKRHVUEO-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.35
Rot. Bonds1

About 2-amino-5-ethenyl-3-methylimidazol-4-ol

2-amino-5-ethenyl-3-methylimidazol-4-ol (PubChem CID 45075986) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-amino-5-ethenyl-3-methylimidazol-4-ol.

Molecular Properties

Compound Name2-amino-5-ethenyl-3-methylimidazol-4-ol
PubChem CID45075986
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-amino-5-ethenyl-3-methylimidazol-4-ol
SMILESC=Cc1nc(N)n(C)c1O
InChIInChI=1S/C6H9N3O/c1-3-4-5(10)9(2)6(7)8-4/h3,10H,1H2,2H3,(H2,7,8)
InChIKeyIQLGSGLKRHVUEO-UHFFFAOYSA-N
XLogP0.35
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethenyl-3-methylimidazol-4-ol?
The IUPAC name of 2-amino-5-ethenyl-3-methylimidazol-4-ol (CID 45075986) is 2-amino-5-ethenyl-3-methylimidazol-4-ol.
What is the SMILES notation for 2-amino-5-ethenyl-3-methylimidazol-4-ol?
The canonical SMILES for 2-amino-5-ethenyl-3-methylimidazol-4-ol is C=Cc1nc(N)n(C)c1O.
What is the InChIKey of 2-amino-5-ethenyl-3-methylimidazol-4-ol?
The InChIKey is IQLGSGLKRHVUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-4-5(10)9(2)6(7)8-4/h3,10H,1H2,2H3,(H2,7,8).
What are the key properties of 2-amino-5-ethenyl-3-methylimidazol-4-ol?
2-amino-5-ethenyl-3-methylimidazol-4-ol has a molecular weight of 139.16 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethenyl-3-methylimidazol-4-ol is sourced from PubChem (CID 45075986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).