5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C14H20N4OS — CID 125420451

IUPAC5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(S[C@@H](C)C3CCOCC3)nc2n1
InChIInChI=1S/C14H20N4OS/c1-9-8-10(2)18-13(15-9)16-14(17-18)20-11(3)12-4-6-19-7-5-12/h8,11-12H,4-7H2,1-3H3/t11-/m0/s1
InChIKeySJYICVTZTCUTNO-NSHDSACASA-N
MW292.41 g/mol
LogP2.65
Rot. Bonds3

About 5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 125420451) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID125420451
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(S[C@@H](C)C3CCOCC3)nc2n1
InChIInChI=1S/C14H20N4OS/c1-9-8-10(2)18-13(15-9)16-14(17-18)20-11(3)12-4-6-19-7-5-12/h8,11-12H,4-7H2,1-3H3/t11-/m0/s1
InChIKeySJYICVTZTCUTNO-NSHDSACASA-N
XLogP2.65
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5,7-dimethyl-2-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915233
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CID 126803906
N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 4605105
5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95349086
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 4821181
(4S)-4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pentan-1-ol
CID 125420364
2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 7269711
5,7-dimethyl-2-[(2R)-4-phenylsulfanylbutan-2-yl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 96542426
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 4783745
4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-morpholin-4-ylbutan-1-one
CID 2488962
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 2515733
2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 854932

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 125420451) is 5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(S[C@@H](C)C3CCOCC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SJYICVTZTCUTNO-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-8-10(2)18-13(15-9)16-14(17-18)20-11(3)12-4-6-19-7-5-12/h8,11-12H,4-7H2,1-3H3/t11-/m0/s1.
What are the key properties of 5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 292.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 125420451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).