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

C18H19FN6O2S — CID 133477979

IUPAC3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nccn3c(C4CC4)nnc23)CC1
InChIInChI=1S/C18H19FN6O2S/c19-14-3-5-15(6-4-14)28(26,27)24-11-9-23(10-12-24)17-18-22-21-16(13-1-2-13)25(18)8-7-20-17/h3-8,13H,1-2,9-12H2
InChIKeyLDRVOACUBMQEDB-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.65
Rot. Bonds4

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

3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 133477979) has the molecular formula C18H19FN6O2S and a molecular weight of 402.46 g/mol. Its IUPAC name is 3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID133477979
Molecular FormulaC18H19FN6O2S
Molecular Weight402.46 g/mol
Exact Mass402.13
IUPAC Name3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nccn3c(C4CC4)nnc23)CC1
InChIInChI=1S/C18H19FN6O2S/c19-14-3-5-15(6-4-14)28(26,27)24-11-9-23(10-12-24)17-18-22-21-16(13-1-2-13)25(18)8-7-20-17/h3-8,13H,1-2,9-12H2
InChIKeyLDRVOACUBMQEDB-UHFFFAOYSA-N
XLogP1.65
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133477970
8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 133478394
1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68546883
8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 113079783
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 6942192
7-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844861
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine
CID 95844720
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 84655220
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31007687
2-[4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55455840

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 133477979) is 3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is O=S(=O)(c1ccc(F)cc1)N1CCN(c2nccn3c(C4CC4)nnc23)CC1.
What is the InChIKey of 3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is LDRVOACUBMQEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2S/c19-14-3-5-15(6-4-14)28(26,27)24-11-9-23(10-12-24)17-18-22-21-16(13-1-2-13)25(18)8-7-20-17/h3-8,13H,1-2,9-12H2.
What are the key properties of 3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 402.46 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 133477979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).