7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C8H10N4OS — CID 2801036

IUPAC7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2nc(SC)nn12
InChIInChI=1S/C8H10N4OS/c1-5-4-6(13-2)12-7(9-5)10-8(11-12)14-3/h4H,1-3H3
InChIKeyBCEVRPYLVPQQSH-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.16
Rot. Bonds2

About 7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2801036) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2801036
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2nc(SC)nn12
InChIInChI=1S/C8H10N4OS/c1-5-4-6(13-2)12-7(9-5)10-8(11-12)14-3/h4H,1-3H3
InChIKeyBCEVRPYLVPQQSH-UHFFFAOYSA-N
XLogP1.16
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2801036) is 7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(C)nc2nc(SC)nn12.
What is the InChIKey of 7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BCEVRPYLVPQQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-5-4-6(13-2)12-7(9-5)10-8(11-12)14-3/h4H,1-3H3.
What are the key properties of 7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 210.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2801036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).