2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine

C8H7ClN4S — CID 61385318

IUPAC2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine
SMILESCn1cc(Sc2cncc(Cl)n2)cn1
InChIInChI=1S/C8H7ClN4S/c1-13-5-6(2-11-13)14-8-4-10-3-7(9)12-8/h2-5H,1H3
InChIKeyBKLGTOWVTYTODH-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.01
Rot. Bonds2

About 2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine

2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine (PubChem CID 61385318) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is 2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine.

Molecular Properties

Compound Name2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine
PubChem CID61385318
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC Name2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine
SMILESCn1cc(Sc2cncc(Cl)n2)cn1
InChIInChI=1S/C8H7ClN4S/c1-13-5-6(2-11-13)14-8-4-10-3-7(9)12-8/h2-5H,1H3
InChIKeyBKLGTOWVTYTODH-UHFFFAOYSA-N
XLogP2.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine
CID 115000407
6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine
CID 80891650
2-chloro-6-(4-methylphenyl)sulfanylpyrazine
CID 43213384
2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine
CID 43260496
6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine
CID 80892034
N-[4-(6-chloropyrazin-2-yl)sulfanylphenyl]acetamide
CID 43213387
5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384655
4-(6-chloropyrazin-2-yl)sulfanylbenzoic acid
CID 114335533
N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 80891727
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanyl-2-methylsulfanylpyrimidin-4-amine
CID 80892324
2-chloro-6-(2-fluorophenyl)sulfanylpyrazine
CID 43260478

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine?
The IUPAC name of 2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine (CID 61385318) is 2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine.
What is the SMILES notation for 2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine?
The canonical SMILES for 2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine is Cn1cc(Sc2cncc(Cl)n2)cn1.
What is the InChIKey of 2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine?
The InChIKey is BKLGTOWVTYTODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c1-13-5-6(2-11-13)14-8-4-10-3-7(9)12-8/h2-5H,1H3.
What are the key properties of 2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine?
2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine has a molecular weight of 226.69 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine is sourced from PubChem (CID 61385318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).