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

C11H20N4S2 — CID 105259535

IUPAC[(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCCn1cc(C(NN)C2SCCSC2C)cn1
InChIInChI=1S/C11H20N4S2/c1-3-15-7-9(6-13-15)10(14-12)11-8(2)16-4-5-17-11/h6-8,10-11,14H,3-5,12H2,1-2H3
InChIKeyXMYIYRMYUYVCKD-UHFFFAOYSA-N
MW272.44 g/mol
LogP1.64
Rot. Bonds4

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

[(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105259535) has the molecular formula C11H20N4S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105259535
Molecular FormulaC11H20N4S2
Molecular Weight272.44 g/mol
Exact Mass272.11
IUPAC Name[(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCCn1cc(C(NN)C2SCCSC2C)cn1
InChIInChI=1S/C11H20N4S2/c1-3-15-7-9(6-13-15)10(14-12)11-8(2)16-4-5-17-11/h6-8,10-11,14H,3-5,12H2,1-2H3
InChIKeyXMYIYRMYUYVCKD-UHFFFAOYSA-N
XLogP1.64
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 51.64
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

N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine
CID 115386793
[(2,2-dimethylcyclopropyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 107005582
[(3-methyl-1,4-dithian-2-yl)-thiophen-3-ylmethyl]hydrazine
CID 105259470
[(3,5-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259663
[(1-ethylpyrazol-4-yl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232222
[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105259494
[(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259573
[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105259619
[(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 107130861
[(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247836
1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80583918
[(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786987

Frequently Asked Questions

What is the IUPAC name of [(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine (CID 105259535) is [(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine is CCn1cc(C(NN)C2SCCSC2C)cn1.
What is the InChIKey of [(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is XMYIYRMYUYVCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2/c1-3-15-7-9(6-13-15)10(14-12)11-8(2)16-4-5-17-11/h6-8,10-11,14H,3-5,12H2,1-2H3.
What are the key properties of [(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
[(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 272.44 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105259535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).