8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one

C15H16N6O4 — CID 135968328

IUPAC8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one
SMILESCOc1cc(/C=N\Nc2nc3nc[nH]c(=O)c3[nH]2)cc(OC)c1OC
InChIInChI=1S/C15H16N6O4/c1-23-9-4-8(5-10(24-2)12(9)25-3)6-18-21-15-19-11-13(20-15)16-7-17-14(11)22/h4-7H,1-3H3,(H3,16,17,19,20,21,22)/b18-6-
InChIKeyGYTXMAYMNCDYAM-FXBPXSCXSA-N
MW344.33 g/mol
LogP1.12
Rot. Bonds6

About 8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one

8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one (PubChem CID 135968328) has the molecular formula C15H16N6O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is 8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one
PubChem CID135968328
Molecular FormulaC15H16N6O4
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Name8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one
SMILESCOc1cc(/C=N\Nc2nc3nc[nH]c(=O)c3[nH]2)cc(OC)c1OC
InChIInChI=1S/C15H16N6O4/c1-23-9-4-8(5-10(24-2)12(9)25-3)6-18-21-15-19-11-13(20-15)16-7-17-14(11)22/h4-7H,1-3H3,(H3,16,17,19,20,21,22)/b18-6-
InChIKeyGYTXMAYMNCDYAM-FXBPXSCXSA-N
XLogP1.12
TPSA126.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one
CID 135698863
4-methyl-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135512705
N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-imidazol-2-amine
CID 59899220
8-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one
CID 135507118
2-[(2Z)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787545
3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 6004069
[2,6-dimethoxy-4-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] acetate
CID 135824275
2-[(2Z)-2-[(3,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136788195
4-N,6-N-bis(4-methylphenyl)-2-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3720446
4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6258839
3-[(2E)-2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136789175
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6266969

Frequently Asked Questions

What is the IUPAC name of 8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one?
The IUPAC name of 8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one (CID 135968328) is 8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one.
What is the SMILES notation for 8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one?
The canonical SMILES for 8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one is COc1cc(/C=N\Nc2nc3nc[nH]c(=O)c3[nH]2)cc(OC)c1OC.
What is the InChIKey of 8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one?
The InChIKey is GYTXMAYMNCDYAM-FXBPXSCXSA-N. The full InChI is InChI=1S/C15H16N6O4/c1-23-9-4-8(5-10(24-2)12(9)25-3)6-18-21-15-19-11-13(20-15)16-7-17-14(11)22/h4-7H,1-3H3,(H3,16,17,19,20,21,22)/b18-6-.
What are the key properties of 8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one?
8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one has a molecular weight of 344.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1,7-dihydropurin-6-one is sourced from PubChem (CID 135968328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).