(3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C15H17N7OS — CID 124555163

IUPAC(3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1cc(C)n2nc(S[C@@H]3CCN(c4cnn(C)c4)C3=O)nc2n1
InChIInChI=1S/C15H17N7OS/c1-9-6-10(2)22-14(17-9)18-15(19-22)24-12-4-5-21(13(12)23)11-7-16-20(3)8-11/h6-8,12H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyJHFSCSZIQNGRNH-GFCCVEGCSA-N
MW343.42 g/mol
LogP1.37
Rot. Bonds3

About (3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

(3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 124555163) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is (3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID124555163
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name(3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1cc(C)n2nc(S[C@@H]3CCN(c4cnn(C)c4)C3=O)nc2n1
InChIInChI=1S/C15H17N7OS/c1-9-6-10(2)22-14(17-9)18-15(19-22)24-12-4-5-21(13(12)23)11-7-16-20(3)8-11/h6-8,12H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyJHFSCSZIQNGRNH-GFCCVEGCSA-N
XLogP1.37
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

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3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75373522
5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126803906
3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 167772204
(3S)-3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(3-nitrophenyl)pyrrolidin-2-one
CID 95187827
(3R)-1-(1-methylpyrazol-4-yl)-3-phthalazin-1-ylsulfanylpiperidin-2-one
CID 99784031
3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 71926183
N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide
CID 47393944
5,7-dimethyl-2-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915233
3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 71999633
N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 4605105
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 124555163) is (3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is Cc1cc(C)n2nc(S[C@@H]3CCN(c4cnn(C)c4)C3=O)nc2n1.
What is the InChIKey of (3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is JHFSCSZIQNGRNH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-9-6-10(2)22-14(17-9)18-15(19-22)24-12-4-5-21(13(12)23)11-7-16-20(3)8-11/h6-8,12H,4-5H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
(3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 343.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 124555163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).