1-aminoimidazol-4-ol

C3H5N3O — CID 69238537

IUPAC1-aminoimidazol-4-ol
SMILESNn1cnc(O)c1
InChIInChI=1S/C3H5N3O/c4-6-1-3(7)5-2-6/h1-2,7H,4H2
InChIKeyUUGVWBLGTQLNED-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.70
Rot. Bonds

About 1-aminoimidazol-4-ol

1-aminoimidazol-4-ol (PubChem CID 69238537) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 1-aminoimidazol-4-ol.

Molecular Properties

Compound Name1-aminoimidazol-4-ol
PubChem CID69238537
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name1-aminoimidazol-4-ol
SMILESNn1cnc(O)c1
InChIInChI=1S/C3H5N3O/c4-6-1-3(7)5-2-6/h1-2,7H,4H2
InChIKeyUUGVWBLGTQLNED-UHFFFAOYSA-N
XLogP-0.70
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-aminoimidazol-4-ol?
The IUPAC name of 1-aminoimidazol-4-ol (CID 69238537) is 1-aminoimidazol-4-ol.
What is the SMILES notation for 1-aminoimidazol-4-ol?
The canonical SMILES for 1-aminoimidazol-4-ol is Nn1cnc(O)c1.
What is the InChIKey of 1-aminoimidazol-4-ol?
The InChIKey is UUGVWBLGTQLNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c4-6-1-3(7)5-2-6/h1-2,7H,4H2.
What are the key properties of 1-aminoimidazol-4-ol?
1-aminoimidazol-4-ol has a molecular weight of 99.09 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoimidazol-4-ol is sourced from PubChem (CID 69238537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).