1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine

C13H20N2O3 — CID 105289545

IUPAC1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H20N2O3/c1-5-6-10(15-14)9-7-12(17-3)13(18-4)8-11(9)16-2/h5,7-8,10,15H,1,6,14H2,2-4H3
InChIKeyUICIYDCBXKQYKZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.79
Rot. Bonds7

About 1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine

1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine (PubChem CID 105289545) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine
PubChem CID105289545
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H20N2O3/c1-5-6-10(15-14)9-7-12(17-3)13(18-4)8-11(9)16-2/h5,7-8,10,15H,1,6,14H2,2-4H3
InChIKeyUICIYDCBXKQYKZ-UHFFFAOYSA-N
XLogP1.79
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-methyl-1-(2,4,5-trimethoxyphenyl)hexyl]hydrazine
CID 105331230
1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine
CID 105256934
1-(2,4,5-trimethoxyphenyl)hex-5-en-1-amine
CID 104986654
1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
CID 105311425
1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
CID 107012919
1-(2,4-dimethoxyphenyl)hex-5-enylhydrazine
CID 105311306
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine
CID 105315476
1-(4-fluoro-2-methylphenyl)but-3-enylhydrazine
CID 105256687
(1S)-1-(3,4-dimethoxyphenyl)but-3-en-1-amine
CID 11521312
2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol
CID 10635838

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine?
The IUPAC name of 1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine (CID 105289545) is 1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine.
What is the SMILES notation for 1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine?
The canonical SMILES for 1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine is C=CCC(NN)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine?
The InChIKey is UICIYDCBXKQYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-6-10(15-14)9-7-12(17-3)13(18-4)8-11(9)16-2/h5,7-8,10,15H,1,6,14H2,2-4H3.
What are the key properties of 1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine?
1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine has a molecular weight of 252.31 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine is sourced from PubChem (CID 105289545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).