4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine

C9H7ClN4S — CID 142433853

IUPAC4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine
SMILESNc1cnccc1Sc1cnc(Cl)cn1
InChIInChI=1S/C9H7ClN4S/c10-8-4-14-9(5-13-8)15-7-1-2-12-3-6(7)11/h1-5H,11H2
InChIKeyYULYJSLLDYRDNI-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.26
Rot. Bonds2

About 4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine

4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine (PubChem CID 142433853) has the molecular formula C9H7ClN4S and a molecular weight of 238.70 g/mol. Its IUPAC name is 4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine
PubChem CID142433853
Molecular FormulaC9H7ClN4S
Molecular Weight238.70 g/mol
Exact Mass238.01
IUPAC Name4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine
SMILESNc1cnccc1Sc1cnc(Cl)cn1
InChIInChI=1S/C9H7ClN4S/c10-8-4-14-9(5-13-8)15-7-1-2-12-3-6(7)11/h1-5H,11H2
InChIKeyYULYJSLLDYRDNI-UHFFFAOYSA-N
XLogP2.26
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine?
The IUPAC name of 4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine (CID 142433853) is 4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine is Nc1cnccc1Sc1cnc(Cl)cn1.
What is the InChIKey of 4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine?
The InChIKey is YULYJSLLDYRDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4S/c10-8-4-14-9(5-13-8)15-7-1-2-12-3-6(7)11/h1-5H,11H2.
What are the key properties of 4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine?
4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine has a molecular weight of 238.70 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 142433853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).