N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide

C11H16N4O3 — CID 22302286

IUPACN'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide
SMILESCOc1cc(/C=N/N/N=C\N)cc(OC)c1OC
InChIInChI=1S/C11H16N4O3/c1-16-9-4-8(6-13-15-14-7-12)5-10(17-2)11(9)18-3/h4-7,15H,1-3H3,(H2,12,14)/b13-6+
InChIKeyLYBJFOZJVILTSD-AWNIVKPZSA-N
MW252.27 g/mol
LogP0.54
Rot. Bonds6

About N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide

N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide (PubChem CID 22302286) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide.

Molecular Properties

Compound NameN'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide
PubChem CID22302286
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide
SMILESCOc1cc(/C=N/N/N=C\N)cc(OC)c1OC
InChIInChI=1S/C11H16N4O3/c1-16-9-4-8(6-13-15-14-7-12)5-10(17-2)11(9)18-3/h4-7,15H,1-3H3,(H2,12,14)/b13-6+
InChIKeyLYBJFOZJVILTSD-AWNIVKPZSA-N
XLogP0.54
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 5398547
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854
4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6258839
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]hexanediamide
CID 6152520
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine
CID 110507338
N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide
CID 6113773
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]nonanediamide
CID 98542039
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
2-fluoro-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 164513023
N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-imidazol-2-amine
CID 59899220
N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide
CID 134315856
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848

Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide?
The IUPAC name of N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide (CID 22302286) is N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide.
What is the SMILES notation for N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide?
The canonical SMILES for N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide is COc1cc(/C=N/N/N=C\N)cc(OC)c1OC.
What is the InChIKey of N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide?
The InChIKey is LYBJFOZJVILTSD-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-16-9-4-8(6-13-15-14-7-12)5-10(17-2)11(9)18-3/h4-7,15H,1-3H3,(H2,12,14)/b13-6+.
What are the key properties of N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide?
N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide has a molecular weight of 252.27 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methanimidamide is sourced from PubChem (CID 22302286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).