3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C17H23N5O3S — CID 95832965

IUPAC3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CCN(C)C2
InChIInChI=1S/C17H23N5O3S/c1-20-10-11-21-16(12-20)18-19-17(21)13-6-5-9-22(13)26(23,24)15-8-4-3-7-14(15)25-2/h3-4,7-8,13H,5-6,9-12H2,1-2H3/t13-/m1/s1
InChIKeyDYUOIHULFZXNMU-CYBMUJFWSA-N
MW377.47 g/mol
LogP1.26
Rot. Bonds4

About 3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 95832965) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID95832965
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CCN(C)C2
InChIInChI=1S/C17H23N5O3S/c1-20-10-11-21-16(12-20)18-19-17(21)13-6-5-9-22(13)26(23,24)15-8-4-3-7-14(15)25-2/h3-4,7-8,13H,5-6,9-12H2,1-2H3/t13-/m1/s1
InChIKeyDYUOIHULFZXNMU-CYBMUJFWSA-N
XLogP1.26
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 110262982
3-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 126809488
3-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 92622236
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 51278456
(2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 92640624
3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 94017775
3-[(2S)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 92624870
3-(4-methoxyphenyl)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95833837
2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole
CID 51249614
(2S,3S)-1-(2-methoxyphenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105449
3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46595834

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 95832965) is 3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CCN(C)C2.
What is the InChIKey of 3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DYUOIHULFZXNMU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-20-10-11-21-16(12-20)18-19-17(21)13-6-5-9-22(13)26(23,24)15-8-4-3-7-14(15)25-2/h3-4,7-8,13H,5-6,9-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 377.47 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 95832965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).