2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine

C10H11ClN4S — CID 63381028

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine
SMILESCc1nn(C)c(Cl)c1CSc1cnccn1
InChIInChI=1S/C10H11ClN4S/c1-7-8(10(11)15(2)14-7)6-16-9-5-12-3-4-13-9/h3-5H,6H2,1-2H3
InChIKeyLZDHKRVXAAKOBB-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.46
Rot. Bonds3

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine (PubChem CID 63381028) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine
PubChem CID63381028
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine
SMILESCc1nn(C)c(Cl)c1CSc1cnccn1
InChIInChI=1S/C10H11ClN4S/c1-7-8(10(11)15(2)14-7)6-16-9-5-12-3-4-13-9/h3-5H,6H2,1-2H3
InChIKeyLZDHKRVXAAKOBB-UHFFFAOYSA-N
XLogP2.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine (CID 63381028) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine is Cc1nn(C)c(Cl)c1CSc1cnccn1.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine?
The InChIKey is LZDHKRVXAAKOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-7-8(10(11)15(2)14-7)6-16-9-5-12-3-4-13-9/h3-5H,6H2,1-2H3.
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine has a molecular weight of 254.75 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine is sourced from PubChem (CID 63381028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).