8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine

C18H18ClFN6O2S — CID 133478394

IUPAC8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2nccn3c(C4CC4)nnc23)CC1
InChIInChI=1S/C18H18ClFN6O2S/c19-14-11-13(3-4-15(14)20)29(27,28)25-9-7-24(8-10-25)17-18-23-22-16(12-1-2-12)26(18)6-5-21-17/h3-6,11-12H,1-2,7-10H2
InChIKeyDJPWBMPLCZJIGN-UHFFFAOYSA-N
MW436.90 g/mol
LogP2.31
Rot. Bonds4

About 8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine

8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 133478394) has the molecular formula C18H18ClFN6O2S and a molecular weight of 436.90 g/mol. Its IUPAC name is 8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID133478394
Molecular FormulaC18H18ClFN6O2S
Molecular Weight436.90 g/mol
Exact Mass436.09
IUPAC Name8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2nccn3c(C4CC4)nnc23)CC1
InChIInChI=1S/C18H18ClFN6O2S/c19-14-11-13(3-4-15(14)20)29(27,28)25-9-7-24(8-10-25)17-18-23-22-16(12-1-2-12)26(18)6-5-21-17/h3-6,11-12H,1-2,7-10H2
InChIKeyDJPWBMPLCZJIGN-UHFFFAOYSA-N
XLogP2.31
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133477979
3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133477970
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-5-fluoropyrimidine
CID 133416420
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490672
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 122344247
4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3872116
2-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121178856
3-chloro-6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584208
5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133358370

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 133478394) is 8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2nccn3c(C4CC4)nnc23)CC1.
What is the InChIKey of 8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DJPWBMPLCZJIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN6O2S/c19-14-11-13(3-4-15(14)20)29(27,28)25-9-7-24(8-10-25)17-18-23-22-16(12-1-2-12)26(18)6-5-21-17/h3-6,11-12H,1-2,7-10H2.
What are the key properties of 8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine?
8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 436.90 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 133478394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).