2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C11H10N4OS — CID 47001302

IUPAC2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccsc3)n2n1
InChIInChI=1S/C11H10N4OS/c1-16-6-10-13-11-12-4-2-9(15(11)14-10)8-3-5-17-7-8/h2-5,7H,6H2,1H3
InChIKeySINMOOFYDBDJQU-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.00
Rot. Bonds3

About 2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 47001302) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID47001302
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccsc3)n2n1
InChIInChI=1S/C11H10N4OS/c1-16-6-10-13-11-12-4-2-9(15(11)14-10)8-3-5-17-7-8/h2-5,7H,6H2,1H3
InChIKeySINMOOFYDBDJQU-UHFFFAOYSA-N
XLogP2.00
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 47001302) is 2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1nc2nccc(-c3ccsc3)n2n1.
What is the InChIKey of 2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SINMOOFYDBDJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-16-6-10-13-11-12-4-2-9(15(11)14-10)8-3-5-17-7-8/h2-5,7H,6H2,1H3.
What are the key properties of 2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 246.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 47001302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).