4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one

C12H10N6O2 — CID 135439466

IUPAC4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one
SMILESO=c1nc2[nH]ncc2c(N/N=C/c2ccc(O)cc2)[nH]1
InChIInChI=1S/C12H10N6O2/c19-8-3-1-7(2-4-8)5-13-17-10-9-6-14-18-11(9)16-12(20)15-10/h1-6,19H,(H3,14,15,16,17,18,20)/b13-5+
InChIKeyFOURMKVXSCEOPR-WLRTZDKTSA-N
MW270.25 g/mol
LogP0.80
Rot. Bonds3

About 4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one

4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 135439466) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one
PubChem CID135439466
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one
SMILESO=c1nc2[nH]ncc2c(N/N=C/c2ccc(O)cc2)[nH]1
InChIInChI=1S/C12H10N6O2/c19-8-3-1-7(2-4-8)5-13-17-10-9-6-14-18-11(9)16-12(20)15-10/h1-6,19H,(H3,14,15,16,17,18,20)/b13-5+
InChIKeyFOURMKVXSCEOPR-WLRTZDKTSA-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

4-Hydroxybenzaldehyde semicarbazone
CID 135400267
1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
CID 135458727
(E)-4-(2-(2-hydroxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one
CID 135630654
4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one
CID 137631384
(E)-4-(2-(3-hydroxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one
CID 6870031
1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
CID 136104493
1-hydroxy-3-[(E)-(4-hydroxyphenyl)methyleneamino]urea
CID 136126601
Hydrazinecarboxamide,2-[(4-hydroxyphenyl)methylene]-
CID 219823
1,3-Bis[(4-hydroxyphenyl)methylideneamino]urea
CID 241429
1,2-bis[(E)-(4-hydroxyphenyl)methylideneamino]guanidine
CID 137175215
2-(2-(4-Hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-4-ol
CID 135470823
3-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135409374

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one (CID 135439466) is 4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one is O=c1nc2[nH]ncc2c(N/N=C/c2ccc(O)cc2)[nH]1.
What is the InChIKey of 4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is FOURMKVXSCEOPR-WLRTZDKTSA-N. The full InChI is InChI=1S/C12H10N6O2/c19-8-3-1-7(2-4-8)5-13-17-10-9-6-14-18-11(9)16-12(20)15-10/h1-6,19H,(H3,14,15,16,17,18,20)/b13-5+.
What are the key properties of 4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one?
4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-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 4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 135439466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).