5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine

C8H10N4S — CID 706547

IUPAC5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCSc1nnc2nc(C)cc(C)n12
InChIInChI=1S/C8H10N4S/c1-5-4-6(2)12-7(9-5)10-11-8(12)13-3/h4H,1-3H3
InChIKeyPXWYILJYVFKKOI-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.46
Rot. Bonds1

About 5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine

5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 706547) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID706547
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCSc1nnc2nc(C)cc(C)n12
InChIInChI=1S/C8H10N4S/c1-5-4-6(2)12-7(9-5)10-11-8(12)13-3/h4H,1-3H3
InChIKeyPXWYILJYVFKKOI-UHFFFAOYSA-N
XLogP1.46
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-Dimethyltetrazolo(1,5-a)pyrimidine
CID 229014
2-[(5-Butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 4231181
2-[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanol
CID 1905158
5,7-Dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 1971110
5,7-Dimethyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-amine
CID 267310
4,6-Dimethyl-2-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine
CID 2145181
3-Butylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 650122
5,7-Dimethyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1818173
Acetonitrile, (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-
CID 2057157
5,7-Dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 706602
1,3,4-Thiadiazolo(3,2-a)pyrimidin-4-ium, 5,7-dimethyl-2-thioxo-, inner salt
CID 786277
[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetonitrile
CID 1588015

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine (CID 706547) is 5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine is CSc1nnc2nc(C)cc(C)n12.
What is the InChIKey of 5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is PXWYILJYVFKKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-5-4-6(2)12-7(9-5)10-11-8(12)13-3/h4H,1-3H3.
What are the key properties of 5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine?
5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 194.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 706547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).