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

C19H22N6O2S — CID 133477970

IUPAC3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nccn4c(C5CC5)nnc34)CC2)cc1
InChIInChI=1S/C19H22N6O2S/c1-14-2-6-16(7-3-14)28(26,27)24-12-10-23(11-13-24)18-19-22-21-17(15-4-5-15)25(19)9-8-20-18/h2-3,6-9,15H,4-5,10-13H2,1H3
InChIKeyBZLUQDMZHTZRRM-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.82
Rot. Bonds4

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

3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 133477970) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID133477970
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nccn4c(C5CC5)nnc34)CC2)cc1
InChIInChI=1S/C19H22N6O2S/c1-14-2-6-16(7-3-14)28(26,27)24-12-10-23(11-13-24)18-19-22-21-17(15-4-5-15)25(19)9-8-20-18/h2-3,6-9,15H,4-5,10-13H2,1H3
InChIKeyBZLUQDMZHTZRRM-UHFFFAOYSA-N
XLogP1.82
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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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
8-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 133478394
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 45422859
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 2822709
2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
CID 133381641
3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539689
6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 42671904
4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 56584266
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,2,5-thiadiazol-3-one
CID 122211896
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
7-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)triazolo[4,5-d]pyrimidine
CID 41245589
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 84655220

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 133477970) is 3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ccc(S(=O)(=O)N2CCN(c3nccn4c(C5CC5)nnc34)CC2)cc1.
What is the InChIKey of 3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BZLUQDMZHTZRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-14-2-6-16(7-3-14)28(26,27)24-12-10-23(11-13-24)18-19-22-21-17(15-4-5-15)25(19)9-8-20-18/h2-3,6-9,15H,4-5,10-13H2,1H3.
What are the key properties of 3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 398.49 g/mol, XLogP of 1.82, 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-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 133477970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).