2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide

C12H19N3O4 — CID 116848669

IUPAC2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide
SMILESCOc1cc(OC)c(OC)cc1CC(N)C(=O)NN
InChIInChI=1S/C12H19N3O4/c1-17-9-6-11(19-3)10(18-2)5-7(9)4-8(13)12(16)15-14/h5-6,8H,4,13-14H2,1-3H3,(H,15,16)
InChIKeyVWVWIENNNAOVJI-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.43
Rot. Bonds6

About 2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide

2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide (PubChem CID 116848669) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide.

Molecular Properties

Compound Name2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide
PubChem CID116848669
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide
SMILESCOc1cc(OC)c(OC)cc1CC(N)C(=O)NN
InChIInChI=1S/C12H19N3O4/c1-17-9-6-11(19-3)10(18-2)5-7(9)4-8(13)12(16)15-14/h5-6,8H,4,13-14H2,1-3H3,(H,15,16)
InChIKeyVWVWIENNNAOVJI-UHFFFAOYSA-N
XLogP-0.43
TPSA108.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide
CID 116848579
2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide
CID 116848706
2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide
CID 116848615
2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
CID 117426372
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
2-sulfanyl-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 54919137
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119271866
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide
CID 116850512
1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol
CID 112518377
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
CID 119690656
2-amino-3-(4,5-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421669

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide?
The IUPAC name of 2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide (CID 116848669) is 2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide.
What is the SMILES notation for 2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide?
The canonical SMILES for 2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide is COc1cc(OC)c(OC)cc1CC(N)C(=O)NN.
What is the InChIKey of 2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide?
The InChIKey is VWVWIENNNAOVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-17-9-6-11(19-3)10(18-2)5-7(9)4-8(13)12(16)15-14/h5-6,8H,4,13-14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide?
2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide has a molecular weight of 269.30 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide is sourced from PubChem (CID 116848669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).