8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one

C12H10N6O2 — CID 135698863

IUPAC8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one
SMILESO=c1[nH]cnc2nc(N/N=C/c3ccc(O)cc3)[nH]c12
InChIInChI=1S/C12H10N6O2/c19-8-3-1-7(2-4-8)5-15-18-12-16-9-10(17-12)13-6-14-11(9)20/h1-6,19H,(H3,13,14,16,17,18,20)/b15-5+
InChIKeyIITRTYSDBQSHID-PJQLUOCWSA-N
MW270.25 g/mol
LogP0.80
Rot. Bonds3

About 8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one

8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one (PubChem CID 135698863) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one
PubChem CID135698863
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one
SMILESO=c1[nH]cnc2nc(N/N=C/c3ccc(O)cc3)[nH]c12
InChIInChI=1S/C12H10N6O2/c19-8-3-1-7(2-4-8)5-15-18-12-16-9-10(17-12)13-6-14-11(9)20/h1-6,19H,(H3,13,14,16,17,18,20)/b15-5+
InChIKeyIITRTYSDBQSHID-PJQLUOCWSA-N
XLogP0.80
TPSA119.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one
CID 135507118
8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one
CID 135968328
2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 162656322
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135433330
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 137030483
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135719981
6-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1,7-dihydropurine-2-thione
CID 10781619
N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide
CID 135509500
4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol
CID 135958634
4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
CID 135891453
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048

Frequently Asked Questions

What is the IUPAC name of 8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one?
The IUPAC name of 8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one (CID 135698863) is 8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one.
What is the SMILES notation for 8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one?
The canonical SMILES for 8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one is O=c1[nH]cnc2nc(N/N=C/c3ccc(O)cc3)[nH]c12.
What is the InChIKey of 8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one?
The InChIKey is IITRTYSDBQSHID-PJQLUOCWSA-N. The full InChI is InChI=1S/C12H10N6O2/c19-8-3-1-7(2-4-8)5-15-18-12-16-9-10(17-12)13-6-14-11(9)20/h1-6,19H,(H3,13,14,16,17,18,20)/b15-5+.
What are the key properties of 8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one?
8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one has a molecular weight of 270.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one is sourced from PubChem (CID 135698863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).