(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

C18H19N5O2S2 — CID 171912773

IUPAC(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
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1S(=O)(=O)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C18H19N5O2S2/c1-12-18-20-17(13-4-5-13)21-22(18)9-10-23(12)27(24,25)16-7-6-15(26-16)14-3-2-8-19-11-14/h2-3,6-8,11-13H,4-5,9-10H2,1H3/t12-/m1/s1
InChIKeyNXDYWRGHSBVLGC-GFCCVEGCSA-N
MW401.52 g/mol
LogP3.04
Rot. Bonds4

About (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

(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 (PubChem CID 171912773) has the molecular formula C18H19N5O2S2 and a molecular weight of 401.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171912773
Molecular FormulaC18H19N5O2S2
Molecular Weight401.52 g/mol
Exact Mass401.10
IUPAC Name(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
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1S(=O)(=O)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C18H19N5O2S2/c1-12-18-20-17(13-4-5-13)21-22(18)9-10-23(12)27(24,25)16-7-6-15(26-16)14-3-2-8-19-11-14/h2-3,6-8,11-13H,4-5,9-10H2,1H3/t12-/m1/s1
InChIKeyNXDYWRGHSBVLGC-GFCCVEGCSA-N
XLogP3.04
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

2-cyclopropyl-7-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine
CID 171912902
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
N-methyl-N-[(4R)-4-methyl-1-(5-pyridin-3-ylthiophen-2-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 59659122
3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 171913941
4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine
CID 112554804
N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide
CID 11639028
(2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164690357
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine
CID 70038300
4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole
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1-[5-(3-aminophenyl)thiophen-2-yl]sulfonyl-4-pyridin-3-ylpiperidin-4-ol
CID 171913007
2-[[2-oxo-3-[(5-pyridin-3-ylthiophen-2-yl)sulfonylamino]pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 67644411

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1c2nc(C3CC3)nn2CCN1S(=O)(=O)c1ccc(-c2cccnc2)s1.
What is the InChIKey of (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?
The InChIKey is NXDYWRGHSBVLGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N5O2S2/c1-12-18-20-17(13-4-5-13)21-22(18)9-10-23(12)27(24,25)16-7-6-15(26-16)14-3-2-8-19-11-14/h2-3,6-8,11-13H,4-5,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 401.52 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171912773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).