3-hydroxy-1,2-dihydroquinazolin-4-imine

C8H9N3O — CID 137303752

IUPAC3-hydroxy-1,2-dihydroquinazolin-4-imine
SMILES[H]/N=C1/c2ccccc2NCN1O
InChIInChI=1S/C8H9N3O/c9-8-6-3-1-2-4-7(6)10-5-11(8)12/h1-4,9-10,12H,5H2/b9-8-
InChIKeyPFULGVAJJXJIDZ-HJWRWDBZSA-N
MW163.18 g/mol
LogP1.09
Rot. Bonds

About 3-hydroxy-1,2-dihydroquinazolin-4-imine

3-hydroxy-1,2-dihydroquinazolin-4-imine (PubChem CID 137303752) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-hydroxy-1,2-dihydroquinazolin-4-imine.

Molecular Properties

Compound Name3-hydroxy-1,2-dihydroquinazolin-4-imine
PubChem CID137303752
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-hydroxy-1,2-dihydroquinazolin-4-imine
SMILES[H]/N=C1/c2ccccc2NCN1O
InChIInChI=1S/C8H9N3O/c9-8-6-3-1-2-4-7(6)10-5-11(8)12/h1-4,9-10,12H,5H2/b9-8-
InChIKeyPFULGVAJJXJIDZ-HJWRWDBZSA-N
XLogP1.09
TPSA59.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-hydroxy-1,2-dihydroquinazolin-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,2-dihydroquinazolin-4-imine?
The IUPAC name of 3-hydroxy-1,2-dihydroquinazolin-4-imine (CID 137303752) is 3-hydroxy-1,2-dihydroquinazolin-4-imine.
What is the SMILES notation for 3-hydroxy-1,2-dihydroquinazolin-4-imine?
The canonical SMILES for 3-hydroxy-1,2-dihydroquinazolin-4-imine is [H]/N=C1/c2ccccc2NCN1O.
What is the InChIKey of 3-hydroxy-1,2-dihydroquinazolin-4-imine?
The InChIKey is PFULGVAJJXJIDZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H9N3O/c9-8-6-3-1-2-4-7(6)10-5-11(8)12/h1-4,9-10,12H,5H2/b9-8-.
What are the key properties of 3-hydroxy-1,2-dihydroquinazolin-4-imine?
3-hydroxy-1,2-dihydroquinazolin-4-imine has a molecular weight of 163.18 g/mol, XLogP of 1.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,2-dihydroquinazolin-4-imine is sourced from PubChem (CID 137303752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).