5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine

C7H8N4S — CID 173351958

IUPAC5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine
SMILESCSc1cc(C)nc2cnnn12
InChIInChI=1S/C7H8N4S/c1-5-3-7(12-2)11-6(9-5)4-8-10-11/h3-4H,1-2H3
InChIKeyFXOYDOZYYJJDEY-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.15
Rot. Bonds1

About 5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine

5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine (PubChem CID 173351958) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine
PubChem CID173351958
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine
SMILESCSc1cc(C)nc2cnnn12
InChIInChI=1S/C7H8N4S/c1-5-3-7(12-2)11-6(9-5)4-8-10-11/h3-4H,1-2H3
InChIKeyFXOYDOZYYJJDEY-UHFFFAOYSA-N
XLogP1.15
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine
CID 20979817
2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol
CID 164890314
5-methyl-3-methylsulfanyl-1,2,4-triazine
CID 12503454
3,5-difluoro-2,6-bis(methylsulfanyl)pyridine
CID 91495772
2,6-dimethyl-4-(triazol-1-yl)pyridine
CID 89493479
6-methyl-2-methylsulfanylpyrimidine-4-thiolate
CID 53491182
5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 146680380
4-chloro-2-methylimidazo[1,5-a]pyrimidine
CID 135052366
1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114269405
ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid
CID 172582527
2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 164645832
7-methyltriazolo[1,5-a]pyridine
CID 12752362

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine (CID 173351958) is 5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine is CSc1cc(C)nc2cnnn12.
What is the InChIKey of 5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine?
The InChIKey is FXOYDOZYYJJDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-5-3-7(12-2)11-6(9-5)4-8-10-11/h3-4H,1-2H3.
What are the key properties of 5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine?
5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine has a molecular weight of 180.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine is sourced from PubChem (CID 173351958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).