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

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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).