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

C12H19N3S2 — CID 105259619

IUPAC[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ccncc1C(NN)C1SCCSC1C
InChIInChI=1S/C12H19N3S2/c1-8-3-4-14-7-10(8)11(15-13)12-9(2)16-5-6-17-12/h3-4,7,9,11-12,15H,5-6,13H2,1-2H3
InChIKeyGSOJQTNFBMHFER-UHFFFAOYSA-N
MW269.44 g/mol
LogP2.13
Rot. Bonds3

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

[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine (PubChem CID 105259619) has the molecular formula C12H19N3S2 and a molecular weight of 269.44 g/mol. Its IUPAC name is [(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
PubChem CID105259619
Molecular FormulaC12H19N3S2
Molecular Weight269.44 g/mol
Exact Mass269.10
IUPAC Name[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ccncc1C(NN)C1SCCSC1C
InChIInChI=1S/C12H19N3S2/c1-8-3-4-14-7-10(8)11(15-13)12-9(2)16-5-6-17-12/h3-4,7,9,11-12,15H,5-6,13H2,1-2H3
InChIKeyGSOJQTNFBMHFER-UHFFFAOYSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.13
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

[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine
CID 105259440
[(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 107130861
[(5-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320635
N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115388266
[(3-methyl-1,4-dithian-2-yl)-thiophen-3-ylmethyl]hydrazine
CID 105259470
[(4-tert-butylcyclohexyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105232736
(3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708450
[(3-methyl-1,4-dithian-2-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105259576
[3,4-dihydro-2H-chromen-8-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259732
[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105259494
[(3,5-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259663
[(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259535

Frequently Asked Questions

What is the IUPAC name of [(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine (CID 105259619) is [(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine is Cc1ccncc1C(NN)C1SCCSC1C.
What is the InChIKey of [(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine?
The InChIKey is GSOJQTNFBMHFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S2/c1-8-3-4-14-7-10(8)11(15-13)12-9(2)16-5-6-17-12/h3-4,7,9,11-12,15H,5-6,13H2,1-2H3.
What are the key properties of [(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine?
[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine has a molecular weight of 269.44 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105259619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).