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

C12H17N5O — CID 107065873

IUPAC[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2cn(C)nn2)NN)cc1
InChIInChI=1S/C12H17N5O/c1-17-8-10(15-16-17)7-12(14-13)9-3-5-11(18-2)6-4-9/h3-6,8,12,14H,7,13H2,1-2H3
InChIKeyVVSKRIDPGQTZEU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.57
Rot. Bonds5

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

[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine (PubChem CID 107065873) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
PubChem CID107065873
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2cn(C)nn2)NN)cc1
InChIInChI=1S/C12H17N5O/c1-17-8-10(15-16-17)7-12(14-13)9-3-5-11(18-2)6-4-9/h3-6,8,12,14H,7,13H2,1-2H3
InChIKeyVVSKRIDPGQTZEU-UHFFFAOYSA-N
XLogP0.57
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066553
[1-(3,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066319
[1-(4-methoxythiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066630
[2-(1-methyltriazol-4-yl)-1-quinolin-6-ylethyl]hydrazine
CID 107066065
2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052817
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928
[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066621
[2-(1-methyltriazol-4-yl)-1-pyridin-2-ylethyl]hydrazine
CID 107065906
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine (CID 107065873) is [1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine is COc1ccc(C(Cc2cn(C)nn2)NN)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The InChIKey is VVSKRIDPGQTZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-17-8-10(15-16-17)7-12(14-13)9-3-5-11(18-2)6-4-9/h3-6,8,12,14H,7,13H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine has a molecular weight of 247.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 107065873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).