1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine

C11H16N4O4 — CID 5494118

IUPAC1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(OC)c(OC)cc1C=N/N=C(/N)NO
InChIInChI=1S/C11H16N4O4/c1-17-8-5-10(19-3)9(18-2)4-7(8)6-13-14-11(12)15-16/h4-6,16H,1-3H3,(H3,12,14,15)
InChIKeyAXLNFFUCIUXDJD-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.34
Rot. Bonds5

About 1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine

1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine (PubChem CID 5494118) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
PubChem CID5494118
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(OC)c(OC)cc1C=N/N=C(/N)NO
InChIInChI=1S/C11H16N4O4/c1-17-8-5-10(19-3)9(18-2)4-7(8)6-13-14-11(12)15-16/h4-6,16H,1-3H3,(H3,12,14,15)
InChIKeyAXLNFFUCIUXDJD-UHFFFAOYSA-N
XLogP0.34
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.34
H-Bond Donors ≤ 53
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

2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 139982922
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173058134
2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 142660061
1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 139982862
2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173023877
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine
CID 168592679
2-[(E)-(2-chloro-3,4,5-triethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173223391
2-[(E)-(2-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 135573350
4-methylbenzenesulfonic acid;2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 158713821
1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 172962285
2-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 139982891

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine (CID 5494118) is 1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine is COc1cc(OC)c(OC)cc1C=N/N=C(/N)NO.
What is the InChIKey of 1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine?
The InChIKey is AXLNFFUCIUXDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-17-8-5-10(19-3)9(18-2)4-7(8)6-13-14-11(12)15-16/h4-6,16H,1-3H3,(H3,12,14,15).
What are the key properties of 1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine?
1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine has a molecular weight of 268.27 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 5494118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).