[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine

C12H19N3S2 — CID 105259452

IUPAC[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine
SMILESCC1SCCSC1C(Cc1ccccn1)NN
InChIInChI=1S/C12H19N3S2/c1-9-12(17-7-6-16-9)11(15-13)8-10-4-2-3-5-14-10/h2-5,9,11-12,15H,6-8,13H2,1H3
InChIKeyYUNJTURINALEDU-UHFFFAOYSA-N
MW269.44 g/mol
LogP1.69
Rot. Bonds4

About [1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine

[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine (PubChem CID 105259452) has the molecular formula C12H19N3S2 and a molecular weight of 269.44 g/mol. Its IUPAC name is [1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine
PubChem CID105259452
Molecular FormulaC12H19N3S2
Molecular Weight269.44 g/mol
Exact Mass269.10
IUPAC Name[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine
SMILESCC1SCCSC1C(Cc1ccccn1)NN
InChIInChI=1S/C12H19N3S2/c1-9-12(17-7-6-16-9)11(15-13)8-10-4-2-3-5-14-10/h2-5,9,11-12,15H,6-8,13H2,1H3
InChIKeyYUNJTURINALEDU-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 51.69
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

N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine
CID 115387062
[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105259589
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105259569
[1-(2-methylcyclopropyl)-2-pyridin-2-ylethyl]hydrazine
CID 105234753
[1-(4-methylcyclohexyl)-2-pyridin-2-ylethyl]hydrazine
CID 105199922
[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259734
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 115388154
[1-(7-bicyclo[4.1.0]heptanyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315370
[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259686
N-methyl-1-(2-methylcyclopentyl)-2-pyridin-2-ylethanamine
CID 107179871
1-cyclopropyl-N-methyl-2-pyridin-2-ylethanamine
CID 63352689
[1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105259545

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine?
The IUPAC name of [1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine (CID 105259452) is [1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine.
What is the SMILES notation for [1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine?
The canonical SMILES for [1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine is CC1SCCSC1C(Cc1ccccn1)NN.
What is the InChIKey of [1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine?
The InChIKey is YUNJTURINALEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S2/c1-9-12(17-7-6-16-9)11(15-13)8-10-4-2-3-5-14-10/h2-5,9,11-12,15H,6-8,13H2,1H3.
What are the key properties of [1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine?
[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine has a molecular weight of 269.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine is sourced from PubChem (CID 105259452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).