4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine

C12H20N4S2 — CID 105259577

IUPAC4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
SMILESCC1SCCSC1C(Cc1ccnc(N)c1)NN
InChIInChI=1S/C12H20N4S2/c1-8-12(18-5-4-17-8)10(16-14)6-9-2-3-15-11(13)7-9/h2-3,7-8,10,12,16H,4-6,14H2,1H3,(H2,13,15)
InChIKeyVMNDPXGVOBHOND-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.28
Rot. Bonds4

About 4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine

4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine (PubChem CID 105259577) has the molecular formula C12H20N4S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
PubChem CID105259577
Molecular FormulaC12H20N4S2
Molecular Weight284.45 g/mol
Exact Mass284.11
IUPAC Name4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
SMILESCC1SCCSC1C(Cc1ccnc(N)c1)NN
InChIInChI=1S/C12H20N4S2/c1-8-12(18-5-4-17-8)10(16-14)6-9-2-3-15-11(13)7-9/h2-3,7-8,10,12,16H,4-6,14H2,1H3,(H2,13,15)
InChIKeyVMNDPXGVOBHOND-UHFFFAOYSA-N
XLogP1.28
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.28
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

[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105259452
[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105259589
4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115388156
4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 79966342
4-[2-hydrazinyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]pyridin-2-amine
CID 105265791
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105259569
4-(2-hydrazinylpropyl)pyridin-2-amine
CID 105201271
[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259686
[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259734
4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 103346418
4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105224735
[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259504

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine (CID 105259577) is 4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine is CC1SCCSC1C(Cc1ccnc(N)c1)NN.
What is the InChIKey of 4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine?
The InChIKey is VMNDPXGVOBHOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S2/c1-8-12(18-5-4-17-8)10(16-14)6-9-2-3-15-11(13)7-9/h2-3,7-8,10,12,16H,4-6,14H2,1H3,(H2,13,15).
What are the key properties of 4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine?
4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine has a molecular weight of 284.45 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 105259577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).