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

C12H12ClN5S — CID 43243247

IUPAC2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
SMILESClc1cncc(Sc2nnc(C3CC3)n2C2CC2)n1
InChIInChI=1S/C12H12ClN5S/c13-9-5-14-6-10(15-9)19-12-17-16-11(7-1-2-7)18(12)8-3-4-8/h5-8H,1-4H2
InChIKeyNJHKYBZQVKASAL-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.09
Rot. Bonds4

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

2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine (PubChem CID 43243247) has the molecular formula C12H12ClN5S and a molecular weight of 293.78 g/mol. Its IUPAC name is 2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
PubChem CID43243247
Molecular FormulaC12H12ClN5S
Molecular Weight293.78 g/mol
Exact Mass293.05
IUPAC Name2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
SMILESClc1cncc(Sc2nnc(C3CC3)n2C2CC2)n1
InChIInChI=1S/C12H12ClN5S/c13-9-5-14-6-10(15-9)19-12-17-16-11(7-1-2-7)18(12)8-3-4-8/h5-8H,1-4H2
InChIKeyNJHKYBZQVKASAL-UHFFFAOYSA-N
XLogP3.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The IUPAC name of 2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine (CID 43243247) is 2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine.
What is the SMILES notation for 2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The canonical SMILES for 2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine is Clc1cncc(Sc2nnc(C3CC3)n2C2CC2)n1.
What is the InChIKey of 2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The InChIKey is NJHKYBZQVKASAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5S/c13-9-5-14-6-10(15-9)19-12-17-16-11(7-1-2-7)18(12)8-3-4-8/h5-8H,1-4H2.
What are the key properties of 2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine has a molecular weight of 293.78 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine is sourced from PubChem (CID 43243247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).