8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione

C15H16N6O3 — CID 3709782

IUPAC8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(NN=Cc3cccc(O)c3)n2C)n(C)c1=O
InChIInChI=1S/C15H16N6O3/c1-19-11-12(20(2)15(24)21(3)13(11)23)17-14(19)18-16-8-9-5-4-6-10(22)7-9/h4-8,22H,1-3H3,(H,17,18)
InChIKeySYGKMUCVUDDWKB-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.12
Rot. Bonds3

About 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione

8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione (PubChem CID 3709782) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione
PubChem CID3709782
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(NN=Cc3cccc(O)c3)n2C)n(C)c1=O
InChIInChI=1S/C15H16N6O3/c1-19-11-12(20(2)15(24)21(3)13(11)23)17-14(19)18-16-8-9-5-4-6-10(22)7-9/h4-8,22H,1-3H3,(H,17,18)
InChIKeySYGKMUCVUDDWKB-UHFFFAOYSA-N
XLogP0.12
TPSA106.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione 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 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione?
The IUPAC name of 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione (CID 3709782) is 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione.
What is the SMILES notation for 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione?
The canonical SMILES for 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione is Cn1c(=O)c2c(nc(NN=Cc3cccc(O)c3)n2C)n(C)c1=O.
What is the InChIKey of 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione?
The InChIKey is SYGKMUCVUDDWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-19-11-12(20(2)15(24)21(3)13(11)23)17-14(19)18-16-8-9-5-4-6-10(22)7-9/h4-8,22H,1-3H3,(H,17,18).
What are the key properties of 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione?
8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione has a molecular weight of 328.33 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione is sourced from PubChem (CID 3709782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).