1-hydroxy-3,5-dimethylpyrazin-2-imine

C6H9N3O — CID 131553763

IUPAC1-hydroxy-3,5-dimethylpyrazin-2-imine
SMILES[H]/N=c1\c(C)nc(C)cn1O
InChIInChI=1S/C6H9N3O/c1-4-3-9(10)6(7)5(2)8-4/h3,7,10H,1-2H3/b7-6+
InChIKeyUICREIBHMGIGPC-VOTSOKGWSA-N
MW139.16 g/mol
LogP0.22
Rot. Bonds

About 1-hydroxy-3,5-dimethylpyrazin-2-imine

1-hydroxy-3,5-dimethylpyrazin-2-imine (PubChem CID 131553763) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-hydroxy-3,5-dimethylpyrazin-2-imine.

Molecular Properties

Compound Name1-hydroxy-3,5-dimethylpyrazin-2-imine
PubChem CID131553763
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-hydroxy-3,5-dimethylpyrazin-2-imine
SMILES[H]/N=c1\c(C)nc(C)cn1O
InChIInChI=1S/C6H9N3O/c1-4-3-9(10)6(7)5(2)8-4/h3,7,10H,1-2H3/b7-6+
InChIKeyUICREIBHMGIGPC-VOTSOKGWSA-N
XLogP0.22
TPSA61.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-hydroxy-3,5-dimethylpyrazin-2-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 1-hydroxy-3,5-dimethylpyrazin-2-imine?
The IUPAC name of 1-hydroxy-3,5-dimethylpyrazin-2-imine (CID 131553763) is 1-hydroxy-3,5-dimethylpyrazin-2-imine.
What is the SMILES notation for 1-hydroxy-3,5-dimethylpyrazin-2-imine?
The canonical SMILES for 1-hydroxy-3,5-dimethylpyrazin-2-imine is [H]/N=c1\c(C)nc(C)cn1O.
What is the InChIKey of 1-hydroxy-3,5-dimethylpyrazin-2-imine?
The InChIKey is UICREIBHMGIGPC-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-3-9(10)6(7)5(2)8-4/h3,7,10H,1-2H3/b7-6+.
What are the key properties of 1-hydroxy-3,5-dimethylpyrazin-2-imine?
1-hydroxy-3,5-dimethylpyrazin-2-imine has a molecular weight of 139.16 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,5-dimethylpyrazin-2-imine is sourced from PubChem (CID 131553763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).