5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane

C10H16N4O2 — CID 145150169

IUPAC5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane
SMILESCC.COc1cnc(OC)n2nc(C)nc12
InChIInChI=1S/C8H10N4O2.C2H6/c1-5-10-7-6(13-2)4-9-8(14-3)12(7)11-5;1-2/h4H,1-3H3;1-2H3
InChIKeySBKOEFLBHJXGCL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.48
Rot. Bonds2

About 5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane

5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane (PubChem CID 145150169) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane.

Molecular Properties

Compound Name5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane
PubChem CID145150169
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane
SMILESCC.COc1cnc(OC)n2nc(C)nc12
InChIInChI=1S/C8H10N4O2.C2H6/c1-5-10-7-6(13-2)4-9-8(14-3)12(7)11-5;1-2/h4H,1-3H3;1-2H3
InChIKeySBKOEFLBHJXGCL-UHFFFAOYSA-N
XLogP1.48
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane?
The IUPAC name of 5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane (CID 145150169) is 5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane.
What is the SMILES notation for 5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane?
The canonical SMILES for 5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane is CC.COc1cnc(OC)n2nc(C)nc12.
What is the InChIKey of 5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane?
The InChIKey is SBKOEFLBHJXGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2.C2H6/c1-5-10-7-6(13-2)4-9-8(14-3)12(7)11-5;1-2/h4H,1-3H3;1-2H3.
What are the key properties of 5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane?
5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane has a molecular weight of 224.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine;ethane is sourced from PubChem (CID 145150169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).