4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol

C18H14N8O3 — CID 135958634

IUPAC4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N\Nc2nc3nonc3nc2N/N=C\c2ccc(O)cc2)cc1
InChIInChI=1S/C18H14N8O3/c27-13-5-1-11(2-6-13)9-19-23-15-16(22-18-17(21-15)25-29-26-18)24-20-10-12-3-7-14(28)8-4-12/h1-10,27-28H,(H,21,23,25)(H,22,24,26)/b19-9-,20-10-
InChIKeyGNOXMCIAXFYPKF-QJUDHZBZSA-N
MW390.36 g/mol
LogP2.32
Rot. Bonds6

About 4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol

4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol (PubChem CID 135958634) has the molecular formula C18H14N8O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol
PubChem CID135958634
Molecular FormulaC18H14N8O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N\Nc2nc3nonc3nc2N/N=C\c2ccc(O)cc2)cc1
InChIInChI=1S/C18H14N8O3/c27-13-5-1-11(2-6-13)9-19-23-15-16(22-18-17(21-15)25-29-26-18)24-20-10-12-3-7-14(28)8-4-12/h1-10,27-28H,(H,21,23,25)(H,22,24,26)/b19-9-,20-10-
InChIKeyGNOXMCIAXFYPKF-QJUDHZBZSA-N
XLogP2.32
TPSA153.94 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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

5-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-6-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 6322795
4-[(Z)-[[6-(3-bromoanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 136878208
4-[(E)-[[6-(4-chloroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135536213
ethyl 4-[[5-[2-[(4-formylphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]benzoate
CID 85033706
5-N-[(E)-(4-bromophenyl)methylideneamino]-6-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 6871945
4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136932712
4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
CID 135891453
4-[(E)-[[4-amino-5-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]hydrazinylidene]methyl]phenol
CID 135838346
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
4-bromo-2-[(E)-[[6-(2-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]phenol
CID 135479776
2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol
CID 137309685

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol (CID 135958634) is 4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol is Oc1ccc(/C=N\Nc2nc3nonc3nc2N/N=C\c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol?
The InChIKey is GNOXMCIAXFYPKF-QJUDHZBZSA-N. The full InChI is InChI=1S/C18H14N8O3/c27-13-5-1-11(2-6-13)9-19-23-15-16(22-18-17(21-15)25-29-26-18)24-20-10-12-3-7-14(28)8-4-12/h1-10,27-28H,(H,21,23,25)(H,22,24,26)/b19-9-,20-10-.
What are the key properties of 4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol?
4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol has a molecular weight of 390.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135958634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).