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

C12H22N4S2 — CID 105259494

IUPAC[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
SMILESCCCn1nccc1C(NN)C1SCCSC1C
InChIInChI=1S/C12H22N4S2/c1-3-6-16-10(4-5-14-16)11(15-13)12-9(2)17-7-8-18-12/h4-5,9,11-12,15H,3,6-8,13H2,1-2H3
InChIKeyJEDCOCPODGUAMQ-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.03
Rot. Bonds5

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

[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine (PubChem CID 105259494) has the molecular formula C12H22N4S2 and a molecular weight of 286.47 g/mol. Its IUPAC name is [(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
PubChem CID105259494
Molecular FormulaC12H22N4S2
Molecular Weight286.47 g/mol
Exact Mass286.13
IUPAC Name[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
SMILESCCCn1nccc1C(NN)C1SCCSC1C
InChIInChI=1S/C12H22N4S2/c1-3-6-16-10(4-5-14-16)11(15-13)12-9(2)17-7-8-18-12/h4-5,9,11-12,15H,3,6-8,13H2,1-2H3
InChIKeyJEDCOCPODGUAMQ-UHFFFAOYSA-N
XLogP2.03
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.03
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-[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115387314
[(2-propylpyrazol-3-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255341
[(2-methylcyclopropyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105234801
1-(3-ethyl-1,4-dithian-2-yl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115387757
[(3-ethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105233440
[(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105258804
[(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259535
[(3-methyl-1,4-dithian-2-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105259576
[2-cyclopropyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105254012
[2-cyclopentyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105307026
[(2-propylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105307031
N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine
CID 105148124

Frequently Asked Questions

What is the IUPAC name of [(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine (CID 105259494) is [(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine is CCCn1nccc1C(NN)C1SCCSC1C.
What is the InChIKey of [(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is JEDCOCPODGUAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S2/c1-3-6-16-10(4-5-14-16)11(15-13)12-9(2)17-7-8-18-12/h4-5,9,11-12,15H,3,6-8,13H2,1-2H3.
What are the key properties of [(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 286.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 105259494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).