[1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine

C11H12BrF2N5 — CID 107066747

IUPAC[1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1cc(CC(NN)c2c(F)cc(Br)cc2F)nn1
InChIInChI=1S/C11H12BrF2N5/c1-19-5-7(17-18-19)4-10(16-15)11-8(13)2-6(12)3-9(11)14/h2-3,5,10,16H,4,15H2,1H3
InChIKeyHSUBMMZTEOUSCN-UHFFFAOYSA-N
MW332.15 g/mol
LogP1.60
Rot. Bonds4

About [1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine

[1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine (PubChem CID 107066747) has the molecular formula C11H12BrF2N5 and a molecular weight of 332.15 g/mol. Its IUPAC name is [1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
PubChem CID107066747
Molecular FormulaC11H12BrF2N5
Molecular Weight332.15 g/mol
Exact Mass331.02
IUPAC Name[1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1cc(CC(NN)c2c(F)cc(Br)cc2F)nn1
InChIInChI=1S/C11H12BrF2N5/c1-19-5-7(17-18-19)4-10(16-15)11-8(13)2-6(12)3-9(11)14/h2-3,5,10,16H,4,15H2,1H3
InChIKeyHSUBMMZTEOUSCN-UHFFFAOYSA-N
XLogP1.60
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 51.60
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-methyltriazol-4-yl)ethyl]hydrazine
CID 107066602
[1-(3,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066319
2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066372
[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066621
[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107065873
[2-(1-methyltriazol-4-yl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 107066667
[2-(1-methyltriazol-4-yl)-1-pyridin-2-ylethyl]hydrazine
CID 107065906
[2-(1-methyltriazol-4-yl)-1-quinoxalin-2-ylethyl]hydrazine
CID 107357968
[1-(4-methoxythiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066630
1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048204
[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066553
[1-(4-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethyl]hydrazine
CID 105284643

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine (CID 107066747) is [1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine is Cn1cc(CC(NN)c2c(F)cc(Br)cc2F)nn1.
What is the InChIKey of [1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
The InChIKey is HSUBMMZTEOUSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N5/c1-19-5-7(17-18-19)4-10(16-15)11-8(13)2-6(12)3-9(11)14/h2-3,5,10,16H,4,15H2,1H3.
What are the key properties of [1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine?
[1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine has a molecular weight of 332.15 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2,6-difluorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 107066747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).