2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine

C7H5ClN4S — CID 107780754

IUPAC2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine
SMILESClc1nccnc1Sc1ncc[nH]1
InChIInChI=1S/C7H5ClN4S/c8-5-6(10-2-1-9-5)13-7-11-3-4-12-7/h1-4H,(H,11,12)
InChIKeyYXPSMOKXRGNAKB-UHFFFAOYSA-N
MW212.67 g/mol
LogP2.00
Rot. Bonds2

About 2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine

2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine (PubChem CID 107780754) has the molecular formula C7H5ClN4S and a molecular weight of 212.67 g/mol. Its IUPAC name is 2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine
PubChem CID107780754
Molecular FormulaC7H5ClN4S
Molecular Weight212.67 g/mol
Exact Mass211.99
IUPAC Name2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine
SMILESClc1nccnc1Sc1ncc[nH]1
InChIInChI=1S/C7H5ClN4S/c8-5-6(10-2-1-9-5)13-7-11-3-4-12-7/h1-4H,(H,11,12)
InChIKeyYXPSMOKXRGNAKB-UHFFFAOYSA-N
XLogP2.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.67
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine?
The IUPAC name of 2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine (CID 107780754) is 2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine.
What is the SMILES notation for 2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine?
The canonical SMILES for 2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine is Clc1nccnc1Sc1ncc[nH]1.
What is the InChIKey of 2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine?
The InChIKey is YXPSMOKXRGNAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4S/c8-5-6(10-2-1-9-5)13-7-11-3-4-12-7/h1-4H,(H,11,12).
What are the key properties of 2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine?
2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine has a molecular weight of 212.67 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine is sourced from PubChem (CID 107780754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).