4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline

C13H20N6 — CID 105316424

IUPAC4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(Cc2ncnn2C)NN)cc1
InChIInChI=1S/C13H20N6/c1-18(2)11-6-4-10(5-7-11)12(17-14)8-13-15-9-16-19(13)3/h4-7,9,12,17H,8,14H2,1-3H3
InChIKeyOOCJKYGBKHONSI-UHFFFAOYSA-N
MW260.35 g/mol
LogP0.63
Rot. Bonds5

About 4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline

4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline (PubChem CID 105316424) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline
PubChem CID105316424
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(Cc2ncnn2C)NN)cc1
InChIInChI=1S/C13H20N6/c1-18(2)11-6-4-10(5-7-11)12(17-14)8-13-15-9-16-19(13)3/h4-7,9,12,17H,8,14H2,1-3H3
InChIKeyOOCJKYGBKHONSI-UHFFFAOYSA-N
XLogP0.63
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316582
[1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105197069
[2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196128
4-[2-(2,5-dimethylpyrazol-3-yl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105315713
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316604
[1-(6-methoxypyridazin-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 103375604
[1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107948316
1-(4-tert-butylphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997858
[1-(1-methylimidazol-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105258087
[1-(2,4-dimethylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316455
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316501
[1-(5-methylpyrazin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316546

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline (CID 105316424) is 4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(Cc2ncnn2C)NN)cc1.
What is the InChIKey of 4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline?
The InChIKey is OOCJKYGBKHONSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-18(2)11-6-4-10(5-7-11)12(17-14)8-13-15-9-16-19(13)3/h4-7,9,12,17H,8,14H2,1-3H3.
What are the key properties of 4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline?
4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline has a molecular weight of 260.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105316424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).