1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

C11H14N4OS — CID 7693304

IUPAC1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCCSc1nc2nc(C)c(C(C)=O)c(C)n2n1
InChIInChI=1S/C11H14N4OS/c1-5-17-11-13-10-12-6(2)9(8(4)16)7(3)15(10)14-11/h5H2,1-4H3
InChIKeySRBNXFJKRSTDSH-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.06
Rot. Bonds3

About 1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 7693304) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID7693304
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCCSc1nc2nc(C)c(C(C)=O)c(C)n2n1
InChIInChI=1S/C11H14N4OS/c1-5-17-11-13-10-12-6(2)9(8(4)16)7(3)15(10)14-11/h5H2,1-4H3
InChIKeySRBNXFJKRSTDSH-UHFFFAOYSA-N
XLogP2.06
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5,7-Dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 10060021
1-(5,7-Dimethyl-(1,2,4)triazolo(1,5-a)pyrimidin-6-yl)ethan-1-one
CID 16459512
(5,6,7-Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-acetic acid
CID 672041
2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 755823
2-({5,6,7-Trimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}sulfanyl)acetonitrile
CID 3606535
6-Acetyl-5,7-dimethyl-2-(trifluoromethyl)-8-hydro-1,2,4-triazolo[1,5-a]pyrimid ine
CID 7447079
3-[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]butan-2-one
CID 5093093
1-(5,7-Dimethyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 8073891
6-Acetyl-7-methyl-2-methylthio-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine
CID 10242652
1-(5-Methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 10466119
1-(2,5,6,7-Tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 21341314
(3S)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]butan-2-one
CID 2146831

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 7693304) is 1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is CCSc1nc2nc(C)c(C(C)=O)c(C)n2n1.
What is the InChIKey of 1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is SRBNXFJKRSTDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-5-17-11-13-10-12-6(2)9(8(4)16)7(3)15(10)14-11/h5H2,1-4H3.
What are the key properties of 1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 250.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 7693304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).