[1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine

C11H14F2N6 — CID 107066099

IUPAC[1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine
SMILESCn1nnc(CC(Cc2ccc(F)cc2F)NN)n1
InChIInChI=1S/C11H14F2N6/c1-19-17-11(16-18-19)6-9(15-14)4-7-2-3-8(12)5-10(7)13/h2-3,5,9,15H,4,6,14H2,1H3
InChIKeyARMPVGBQKGYXNK-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.11
Rot. Bonds5

About [1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine

[1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine (PubChem CID 107066099) has the molecular formula C11H14F2N6 and a molecular weight of 268.27 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine
PubChem CID107066099
Molecular FormulaC11H14F2N6
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name[1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine
SMILESCn1nnc(CC(Cc2ccc(F)cc2F)NN)n1
InChIInChI=1S/C11H14F2N6/c1-19-17-11(16-18-19)6-9(15-14)4-7-2-3-8(12)5-10(7)13/h2-3,5,9,15H,4,6,14H2,1H3
InChIKeyARMPVGBQKGYXNK-UHFFFAOYSA-N
XLogP0.11
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.11
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'}

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Related Compounds

1-(2,4-difluorophenyl)butan-2-ylhydrazine
CID 105201098
[1-(2-chloro-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066044
[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 107066944
[1-(2,4-difluorophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195329
1-(2,4-difluorophenyl)hexan-2-ylhydrazine
CID 105223048
[1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
CID 105223143
[1-(2-methyltetrazol-5-yl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 107066017
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042414
[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066767
[5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-yl]hydrazine
CID 107066112
1-(5-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050206
[1-(2-chloro-3-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223066

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine (CID 107066099) is [1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine is Cn1nnc(CC(Cc2ccc(F)cc2F)NN)n1.
What is the InChIKey of [1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine?
The InChIKey is ARMPVGBQKGYXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6/c1-19-17-11(16-18-19)6-9(15-14)4-7-2-3-8(12)5-10(7)13/h2-3,5,9,15H,4,6,14H2,1H3.
What are the key properties of [1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine?
[1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine has a molecular weight of 268.27 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 107066099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).