3-hydroxyquinazolin-2-imine

C8H7N3O — CID 67982447

IUPAC3-hydroxyquinazolin-2-imine
SMILES[H]/N=c1\nc2ccccc2cn1O
InChIInChI=1S/C8H7N3O/c9-8-10-7-4-2-1-3-6(7)5-11(8)12/h1-5,9,12H/b9-8+
InChIKeyVZPLVGGVWZZEJU-CMDGGOBGSA-N
MW161.16 g/mol
LogP0.75
Rot. Bonds

About 3-hydroxyquinazolin-2-imine

3-hydroxyquinazolin-2-imine (PubChem CID 67982447) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-hydroxyquinazolin-2-imine.

Molecular Properties

Compound Name3-hydroxyquinazolin-2-imine
PubChem CID67982447
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-hydroxyquinazolin-2-imine
SMILES[H]/N=c1\nc2ccccc2cn1O
InChIInChI=1S/C8H7N3O/c9-8-10-7-4-2-1-3-6(7)5-11(8)12/h1-5,9,12H/b9-8+
InChIKeyVZPLVGGVWZZEJU-CMDGGOBGSA-N
XLogP0.75
TPSA61.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyquinazolin-2-imine?
The IUPAC name of 3-hydroxyquinazolin-2-imine (CID 67982447) is 3-hydroxyquinazolin-2-imine.
What is the SMILES notation for 3-hydroxyquinazolin-2-imine?
The canonical SMILES for 3-hydroxyquinazolin-2-imine is [H]/N=c1\nc2ccccc2cn1O.
What is the InChIKey of 3-hydroxyquinazolin-2-imine?
The InChIKey is VZPLVGGVWZZEJU-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H7N3O/c9-8-10-7-4-2-1-3-6(7)5-11(8)12/h1-5,9,12H/b9-8+.
What are the key properties of 3-hydroxyquinazolin-2-imine?
3-hydroxyquinazolin-2-imine has a molecular weight of 161.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyquinazolin-2-imine is sourced from PubChem (CID 67982447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).