(8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

C15H16F2N4O2S — CID 164700379

IUPAC(8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N4O2S/c1-9-15-18-14(10-2-3-10)19-20(15)6-7-21(9)24(22,23)11-4-5-12(16)13(17)8-11/h4-5,8-10H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyICMNNJLBBMGGHX-SECBINFHSA-N
MW354.38 g/mol
LogP2.20
Rot. Bonds3

About (8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

(8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 164700379) has the molecular formula C15H16F2N4O2S and a molecular weight of 354.38 g/mol. Its IUPAC name is (8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name(8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID164700379
Molecular FormulaC15H16F2N4O2S
Molecular Weight354.38 g/mol
Exact Mass354.10
IUPAC Name(8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N4O2S/c1-9-15-18-14(10-2-3-10)19-20(15)6-7-21(9)24(22,23)11-4-5-12(16)13(17)8-11/h4-5,8-10H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyICMNNJLBBMGGHX-SECBINFHSA-N
XLogP2.20
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Related Compounds

6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
CID 165423740
(8R)-2-cyclopropyl-8-methyl-7-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 171912773
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
1-(3,4-difluorophenyl)sulfonyl-2-isocyanato-3-methylpiperidine
CID 107070589
1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine
CID 63910406
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830
(2S)-1-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 165425780
(3aS,6aR)-2-(3,4-difluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 173069403
2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54882062

Frequently Asked Questions

What is the IUPAC name of (8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of (8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 164700379) is (8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for (8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for (8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is C[C@@H]1c2nc(C3CC3)nn2CCN1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is ICMNNJLBBMGGHX-SECBINFHSA-N. The full InChI is InChI=1S/C15H16F2N4O2S/c1-9-15-18-14(10-2-3-10)19-20(15)6-7-21(9)24(22,23)11-4-5-12(16)13(17)8-11/h4-5,8-10H,2-3,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
(8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 354.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 164700379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).