3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine

C8H5Cl2N5S — CID 171454817

IUPAC3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine
SMILESNc1nccc(Sc2cnc(Cl)nn2)c1Cl
InChIInChI=1S/C8H5Cl2N5S/c9-6-4(1-2-12-7(6)11)16-5-3-13-8(10)15-14-5/h1-3H,(H2,11,12)
InChIKeySVERIZOYLWHRIV-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.31
Rot. Bonds2

About 3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine

3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine (PubChem CID 171454817) has the molecular formula C8H5Cl2N5S and a molecular weight of 274.14 g/mol. Its IUPAC name is 3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine
PubChem CID171454817
Molecular FormulaC8H5Cl2N5S
Molecular Weight274.14 g/mol
Exact Mass272.96
IUPAC Name3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine
SMILESNc1nccc(Sc2cnc(Cl)nn2)c1Cl
InChIInChI=1S/C8H5Cl2N5S/c9-6-4(1-2-12-7(6)11)16-5-3-13-8(10)15-14-5/h1-3H,(H2,11,12)
InChIKeySVERIZOYLWHRIV-UHFFFAOYSA-N
XLogP2.31
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine with MolForge

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Related Compounds

(1S,5R)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 155164111
(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155164259
(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155164050
4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile
CID 145210242
1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine
CID 145210267
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]methanol
CID 162492945
(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3S,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 158312745
[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 162492921
(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-ethenyl-8-azaspiro[4.5]decan-4-amine
CID 135197189
3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
CID 156901247
(4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine
CID 155591704
3-[(3S)-3-amino-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]-N-methylprop-2-ynamide
CID 171454690

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine?
The IUPAC name of 3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine (CID 171454817) is 3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine is Nc1nccc(Sc2cnc(Cl)nn2)c1Cl.
What is the InChIKey of 3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine?
The InChIKey is SVERIZOYLWHRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N5S/c9-6-4(1-2-12-7(6)11)16-5-3-13-8(10)15-14-5/h1-3H,(H2,11,12).
What are the key properties of 3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine?
3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine has a molecular weight of 274.14 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine is sourced from PubChem (CID 171454817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).