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

C11H13Cl2N5 — CID 107066602

IUPAC[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1cc(CC(NN)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C11H13Cl2N5/c1-18-6-8(16-17-18)5-11(15-14)9-3-2-7(12)4-10(9)13/h2-4,6,11,15H,5,14H2,1H3
InChIKeyFPHUIQWTRWDKFE-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.87
Rot. Bonds4

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

[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine (PubChem CID 107066602) has the molecular formula C11H13Cl2N5 and a molecular weight of 286.17 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
PubChem CID107066602
Molecular FormulaC11H13Cl2N5
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1cc(CC(NN)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C11H13Cl2N5/c1-18-6-8(16-17-18)5-11(15-14)9-3-2-7(12)4-10(9)13/h2-4,6,11,15H,5,14H2,1H3
InChIKeyFPHUIQWTRWDKFE-UHFFFAOYSA-N
XLogP1.87
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.87
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'}

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Related Compounds

[1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329457
[1-(3,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066319
1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063841
[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066553
1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 114028372
N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064044
2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066372
1,2-bis(2,4-dichlorophenyl)ethylhydrazine
CID 105295029
1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065654
[1-(2,4-dichlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291296
[1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066747
[2-(1-methyltriazol-4-yl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 107066667

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine (CID 107066602) is [1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine is Cn1cc(CC(NN)c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of [1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The InChIKey is FPHUIQWTRWDKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5/c1-18-6-8(16-17-18)5-11(15-14)9-3-2-7(12)4-10(9)13/h2-4,6,11,15H,5,14H2,1H3.
What are the key properties of [1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine has a molecular weight of 286.17 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 107066602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).