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

C12H12N4O2 — CID 121239944

IUPAC2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C12H12N4O2/c1-8-3-4-10(18-8)9-5-6-13-12-14-11(7-17-2)15-16(9)12/h3-6H,7H2,1-2H3
InChIKeyDRMIMVFZDUKOGC-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.84
Rot. Bonds3

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

2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 121239944) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID121239944
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C12H12N4O2/c1-8-3-4-10(18-8)9-5-6-13-12-14-11(7-17-2)15-16(9)12/h3-6H,7H2,1-2H3
InChIKeyDRMIMVFZDUKOGC-UHFFFAOYSA-N
XLogP1.84
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 121239944) is 2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1nc2nccc(-c3ccc(C)o3)n2n1.
What is the InChIKey of 2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DRMIMVFZDUKOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-3-4-10(18-8)9-5-6-13-12-14-11(7-17-2)15-16(9)12/h3-6H,7H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 244.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 121239944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).