3-(2,4,5-trimethylphenyl)propanehydrazide

C12H18N2O — CID 116843486

IUPAC3-(2,4,5-trimethylphenyl)propanehydrazide
SMILESCc1cc(C)c(CCC(=O)NN)cc1C
InChIInChI=1S/C12H18N2O/c1-8-6-10(3)11(7-9(8)2)4-5-12(15)14-13/h6-7H,4-5,13H2,1-3H3,(H,14,15)
InChIKeySBMYVBVMVBZTSU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.53
Rot. Bonds3

About 3-(2,4,5-trimethylphenyl)propanehydrazide

3-(2,4,5-trimethylphenyl)propanehydrazide (PubChem CID 116843486) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(2,4,5-trimethylphenyl)propanehydrazide.

Molecular Properties

Compound Name3-(2,4,5-trimethylphenyl)propanehydrazide
PubChem CID116843486
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(2,4,5-trimethylphenyl)propanehydrazide
SMILESCc1cc(C)c(CCC(=O)NN)cc1C
InChIInChI=1S/C12H18N2O/c1-8-6-10(3)11(7-9(8)2)4-5-12(15)14-13/h6-7H,4-5,13H2,1-3H3,(H,14,15)
InChIKeySBMYVBVMVBZTSU-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-(2,4,5-trimethylphenyl)butanehydrazide
CID 116843610
2-(2,4,5-trimethylphenyl)acetohydrazide
CID 100523227
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide
CID 115271746
3-amino-1-methyl-1-[2-(2,4,5-trimethylphenyl)ethyl]urea
CID 115193053
3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide
CID 116843529
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
2-sulfanyl-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115167394
ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate
CID 58566683
4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide
CID 116843609
2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
CID 58181343
ethyl 3-(4-chloro-2,5-dimethylphenyl)propanoate
CID 91605979

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trimethylphenyl)propanehydrazide?
The IUPAC name of 3-(2,4,5-trimethylphenyl)propanehydrazide (CID 116843486) is 3-(2,4,5-trimethylphenyl)propanehydrazide.
What is the SMILES notation for 3-(2,4,5-trimethylphenyl)propanehydrazide?
The canonical SMILES for 3-(2,4,5-trimethylphenyl)propanehydrazide is Cc1cc(C)c(CCC(=O)NN)cc1C.
What is the InChIKey of 3-(2,4,5-trimethylphenyl)propanehydrazide?
The InChIKey is SBMYVBVMVBZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-6-10(3)11(7-9(8)2)4-5-12(15)14-13/h6-7H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of 3-(2,4,5-trimethylphenyl)propanehydrazide?
3-(2,4,5-trimethylphenyl)propanehydrazide has a molecular weight of 206.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-trimethylphenyl)propanehydrazide is sourced from PubChem (CID 116843486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).