4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine

C9H12F3N3S — CID 116616296

IUPAC4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
SMILESCN(CCSC(F)(F)F)c1ccncc1N
InChIInChI=1S/C9H12F3N3S/c1-15(4-5-16-9(10,11)12)8-2-3-14-6-7(8)13/h2-3,6H,4-5,13H2,1H3
InChIKeyYMVZHJDMBRKZDZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.35
Rot. Bonds4

About 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine

4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine (PubChem CID 116616296) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
PubChem CID116616296
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
SMILESCN(CCSC(F)(F)F)c1ccncc1N
InChIInChI=1S/C9H12F3N3S/c1-15(4-5-16-9(10,11)12)8-2-3-14-6-7(8)13/h2-3,6H,4-5,13H2,1H3
InChIKeyYMVZHJDMBRKZDZ-UHFFFAOYSA-N
XLogP2.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine (CID 116616296) is 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine is CN(CCSC(F)(F)F)c1ccncc1N.
What is the InChIKey of 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine?
The InChIKey is YMVZHJDMBRKZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-15(4-5-16-9(10,11)12)8-2-3-14-6-7(8)13/h2-3,6H,4-5,13H2,1H3.
What are the key properties of 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine?
4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine has a molecular weight of 251.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 116616296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).