2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine

C9H10ClN5S — CID 104603400

IUPAC2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
SMILESCc1nc(Cl)c(Sc2ncnn2C)nc1C
InChIInChI=1S/C9H10ClN5S/c1-5-6(2)14-8(7(10)13-5)16-9-11-4-12-15(9)3/h4H,1-3H3
InChIKeyLDFRWVCLTBTBDH-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.03
Rot. Bonds2

About 2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine

2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine (PubChem CID 104603400) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
PubChem CID104603400
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
SMILESCc1nc(Cl)c(Sc2ncnn2C)nc1C
InChIInChI=1S/C9H10ClN5S/c1-5-6(2)14-8(7(10)13-5)16-9-11-4-12-15(9)3/h4H,1-3H3
InChIKeyLDFRWVCLTBTBDH-UHFFFAOYSA-N
XLogP2.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603371
2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603377
4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604953
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-7H-purine
CID 104787572
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
CID 102989027
2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603418
4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
CID 104603069
1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
CID 104602839
N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 104604999
2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine
CID 104603389
2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104604881
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 104604147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The IUPAC name of 2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine (CID 104603400) is 2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine.
What is the SMILES notation for 2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The canonical SMILES for 2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine is Cc1nc(Cl)c(Sc2ncnn2C)nc1C.
What is the InChIKey of 2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The InChIKey is LDFRWVCLTBTBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-5-6(2)14-8(7(10)13-5)16-9-11-4-12-15(9)3/h4H,1-3H3.
What are the key properties of 2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine has a molecular weight of 255.73 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine is sourced from PubChem (CID 104603400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).