3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine

C12H20N4S2 — CID 103347226

IUPAC3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine
SMILESCC1SCC(C(NN)c2cnccc2N)SC1C
InChIInChI=1S/C12H20N4S2/c1-7-8(2)18-11(6-17-7)12(16-14)9-5-15-4-3-10(9)13/h3-5,7-8,11-12,16H,6,14H2,1-2H3,(H2,13,15)
InChIKeyISSNGCXCHQJCEW-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.79
Rot. Bonds3

About 3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine

3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine (PubChem CID 103347226) has the molecular formula C12H20N4S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine
PubChem CID103347226
Molecular FormulaC12H20N4S2
Molecular Weight284.45 g/mol
Exact Mass284.11
IUPAC Name3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine
SMILESCC1SCC(C(NN)c2cnccc2N)SC1C
InChIInChI=1S/C12H20N4S2/c1-7-8(2)18-11(6-17-7)12(16-14)9-5-15-4-3-10(9)13/h3-5,7-8,11-12,16H,6,14H2,1-2H3,(H2,13,15)
InChIKeyISSNGCXCHQJCEW-UHFFFAOYSA-N
XLogP1.79
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.79
H-Bond Donors ≤ 53
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

[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 103347185
[(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 107516548
3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine
CID 80622128
[(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine
CID 103347176
3-[hydrazinyl-(3-methylcyclohexyl)methyl]pyridin-4-amine
CID 105210283
3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine
CID 106446429
N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 103346089
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103345994
3-(1-hydrazinylethyl)pyridin-4-amine
CID 105201253
[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105259619
[(3,5-dimethoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 103347267
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 103345763

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine?
The IUPAC name of 3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine (CID 103347226) is 3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine.
What is the SMILES notation for 3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine?
The canonical SMILES for 3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine is CC1SCC(C(NN)c2cnccc2N)SC1C.
What is the InChIKey of 3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine?
The InChIKey is ISSNGCXCHQJCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S2/c1-7-8(2)18-11(6-17-7)12(16-14)9-5-15-4-3-10(9)13/h3-5,7-8,11-12,16H,6,14H2,1-2H3,(H2,13,15).
What are the key properties of 3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine?
3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine has a molecular weight of 284.45 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine is sourced from PubChem (CID 103347226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).