(3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one

C10H10N4O2S — CID 51601886

IUPAC(3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one
SMILESCc1cc(S[C@H]2CCOC2=O)n2ncnc2n1
InChIInChI=1S/C10H10N4O2S/c1-6-4-8(14-10(13-6)11-5-12-14)17-7-2-3-16-9(7)15/h4-5,7H,2-3H2,1H3/t7-/m0/s1
InChIKeyAHHWEUNFAUMHNR-ZETCQYMHSA-N
MW250.28 g/mol
LogP0.84
Rot. Bonds2

About (3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one

(3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one (PubChem CID 51601886) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is (3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one
PubChem CID51601886
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name(3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one
SMILESCc1cc(S[C@H]2CCOC2=O)n2ncnc2n1
InChIInChI=1S/C10H10N4O2S/c1-6-4-8(14-10(13-6)11-5-12-14)17-7-2-3-16-9(7)15/h4-5,7H,2-3H2,1H3/t7-/m0/s1
InChIKeyAHHWEUNFAUMHNR-ZETCQYMHSA-N
XLogP0.84
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one with MolForge

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Related Compounds

2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]propanoic acid
CID 43395323
7-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 9461574
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18191294
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293413
4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one
CID 79120607
1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine
CID 115315727
5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 94673326
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide
CID 18191303
5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 25247790
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one?
The IUPAC name of (3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one (CID 51601886) is (3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one?
The canonical SMILES for (3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one is Cc1cc(S[C@H]2CCOC2=O)n2ncnc2n1.
What is the InChIKey of (3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one?
The InChIKey is AHHWEUNFAUMHNR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-4-8(14-10(13-6)11-5-12-14)17-7-2-3-16-9(7)15/h4-5,7H,2-3H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one?
(3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one has a molecular weight of 250.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one is sourced from PubChem (CID 51601886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).