[1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C11H13F2N5 — CID 105197069

IUPAC[1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCn1ncnc1CC(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2N5/c1-18-11(15-6-16-18)5-10(17-14)7-2-3-8(12)9(13)4-7/h2-4,6,10,17H,5,14H2,1H3
InChIKeyIZAZUVZOGMWIBE-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.84
Rot. Bonds4

About [1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105197069) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105197069
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name[1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCn1ncnc1CC(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2N5/c1-18-11(15-6-16-18)5-10(17-14)7-2-3-8(12)9(13)4-7/h2-4,6,10,17H,5,14H2,1H3
InChIKeyIZAZUVZOGMWIBE-UHFFFAOYSA-N
XLogP0.84
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.84
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-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316604
4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline
CID 105316424
[2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196128
[1-(4-fluoro-3-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105204160
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997507
[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316582
[1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107948316
[1-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105215350
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208183
[1-(2,4-dimethylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316455
[1-(6-methoxypyridazin-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 103375604
1-(4-fluoro-3-methoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812576

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105197069) is [1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is Cn1ncnc1CC(NN)c1ccc(F)c(F)c1.
What is the InChIKey of [1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is IZAZUVZOGMWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c1-18-11(15-6-16-18)5-10(17-14)7-2-3-8(12)9(13)4-7/h2-4,6,10,17H,5,14H2,1H3.
What are the key properties of [1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 253.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105197069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).