4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol

C12H10N6O — CID 135439802

IUPAC4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/Nc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H10N6O/c19-9-3-1-8(2-4-9)5-17-18-12-10-11(14-6-13-10)15-7-16-12/h1-7,19H,(H2,13,14,15,16,18)/b17-5+
InChIKeyBGFMWJDEKXHWRD-YAXRCOADSA-N
MW254.25 g/mol
LogP1.50
Rot. Bonds3

About 4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol

4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol (PubChem CID 135439802) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol
PubChem CID135439802
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/Nc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H10N6O/c19-9-3-1-8(2-4-9)5-17-18-12-10-11(14-6-13-10)15-7-16-12/h1-7,19H,(H2,13,14,15,16,18)/b17-5+
InChIKeyBGFMWJDEKXHWRD-YAXRCOADSA-N
XLogP1.50
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.50
H-Bond Donors ≤ 53
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

4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
4-(6-morpholino-9H-purin-2-yl)phenol
CID 135955186
meta-Topolin
CID 11557770
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 33
CID 135434953
4-{(E)-[2-(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 135460447
4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenol
CID 136266076
2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylamino)-methyl]-phenol
CID 10062373
3-(6-(piperidin-1-yl)-9H-purin-2-yl)phenol
CID 25070230
4-[6-(Cyclopentylamino)-9-methylpurin-8-yl]phenol
CID 135438480
4-[2-[(6-methyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-yl)amino]ethyl]phenol
CID 73167568

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol (CID 135439802) is 4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol is Oc1ccc(/C=N/Nc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol?
The InChIKey is BGFMWJDEKXHWRD-YAXRCOADSA-N. The full InChI is InChI=1S/C12H10N6O/c19-9-3-1-8(2-4-9)5-17-18-12-10-11(14-6-13-10)15-7-16-12/h1-7,19H,(H2,13,14,15,16,18)/b17-5+.
What are the key properties of 4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol?
4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol has a molecular weight of 254.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135439802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).