[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine

C13H19N5O2 — CID 107066553

IUPAC[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2cn(C)nn2)NN)c(OC)c1
InChIInChI=1S/C13H19N5O2/c1-18-8-9(16-17-18)6-12(15-14)11-5-4-10(19-2)7-13(11)20-3/h4-5,7-8,12,15H,6,14H2,1-3H3
InChIKeyWYYWVCWGSJNKEO-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.58
Rot. Bonds6

About [1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine

[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine (PubChem CID 107066553) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is [1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
PubChem CID107066553
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2cn(C)nn2)NN)c(OC)c1
InChIInChI=1S/C13H19N5O2/c1-18-8-9(16-17-18)6-12(15-14)11-5-4-10(19-2)7-13(11)20-3/h4-5,7-8,12,15H,6,14H2,1-3H3
InChIKeyWYYWVCWGSJNKEO-UHFFFAOYSA-N
XLogP0.58
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932
[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107065873
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107051522
[1-(4-methoxythiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066630
[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066602
[1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310306
[1-(2,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208488
1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 62757409
2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066372
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
[1-(3,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066319
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine (CID 107066553) is [1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine is COc1ccc(C(Cc2cn(C)nn2)NN)c(OC)c1.
What is the InChIKey of [1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The InChIKey is WYYWVCWGSJNKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-18-8-9(16-17-18)6-12(15-14)11-5-4-10(19-2)7-13(11)20-3/h4-5,7-8,12,15H,6,14H2,1-3H3.
What are the key properties of [1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine has a molecular weight of 277.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 107066553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).