1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine

C12H16N2O3 — CID 105315476

IUPAC1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C12H16N2O3/c1-5-9(14-13)8-6-11(16-3)12(17-4)7-10(8)15-2/h1,6-7,9,14H,13H2,2-4H3
InChIKeySJIDUTPPUINKEI-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.85
Rot. Bonds5

About 1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine

1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine (PubChem CID 105315476) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine
PubChem CID105315476
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C12H16N2O3/c1-5-9(14-13)8-6-11(16-3)12(17-4)7-10(8)15-2/h1,6-7,9,14H,13H2,2-4H3
InChIKeySJIDUTPPUINKEI-UHFFFAOYSA-N
XLogP0.85
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)prop-2-ynylhydrazine
CID 105315472
1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine
CID 105315555
1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine
CID 105315530
1-(2,4,5-trimethoxyphenyl)but-3-yn-1-amine
CID 114976960
1-(2-fluoro-6-methoxyphenyl)prop-2-ynylhydrazine
CID 105252451
1-(2,4,5-trimethoxyphenyl)but-3-enylhydrazine
CID 105289545
[5-methyl-1-(2,4,5-trimethoxyphenyl)hexyl]hydrazine
CID 105331230
N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 116934954
1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine
CID 105315456
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
1,2,4-trimethoxy-5-(1-methoxyethyl)benzene
CID 91567159
(1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171239375

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine?
The IUPAC name of 1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine (CID 105315476) is 1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine is C#CC(NN)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine?
The InChIKey is SJIDUTPPUINKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-5-9(14-13)8-6-11(16-3)12(17-4)7-10(8)15-2/h1,6-7,9,14H,13H2,2-4H3.
What are the key properties of 1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine?
1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine has a molecular weight of 236.27 g/mol, XLogP of 0.85, 5 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)prop-2-ynylhydrazine is sourced from PubChem (CID 105315476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).