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

C8H10N4O3S — CID 2801131

IUPAC7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2nc(S(C)(=O)=O)nn12
InChIInChI=1S/C8H10N4O3S/c1-5-4-6(15-2)12-7(9-5)10-8(11-12)16(3,13)14/h4H,1-3H3
InChIKeyPNWNBFVEMPUJQP-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.16
Rot. Bonds2

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

7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2801131) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2801131
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2nc(S(C)(=O)=O)nn12
InChIInChI=1S/C8H10N4O3S/c1-5-4-6(15-2)12-7(9-5)10-8(11-12)16(3,13)14/h4H,1-3H3
InChIKeyPNWNBFVEMPUJQP-UHFFFAOYSA-N
XLogP-0.16
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2801131) is 7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(C)nc2nc(S(C)(=O)=O)nn12.
What is the InChIKey of 7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PNWNBFVEMPUJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-5-4-6(15-2)12-7(9-5)10-8(11-12)16(3,13)14/h4H,1-3H3.
What are the key properties of 7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 242.26 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2801131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).