2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine

C7H8N4O2 — CID 67650359

IUPAC2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCOc1nc2ccnc(OC)n2n1
InChIInChI=1S/C7H8N4O2/c1-12-6-9-5-3-4-8-7(13-2)11(5)10-6/h3-4H,1-2H3
InChIKeyQOIKKSCAYYXPHA-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.14
Rot. Bonds2

About 2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine

2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 67650359) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID67650359
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCOc1nc2ccnc(OC)n2n1
InChIInChI=1S/C7H8N4O2/c1-12-6-9-5-3-4-8-7(13-2)11(5)10-6/h3-4H,1-2H3
InChIKeyQOIKKSCAYYXPHA-UHFFFAOYSA-N
XLogP0.14
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine (CID 67650359) is 2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine is COc1nc2ccnc(OC)n2n1.
What is the InChIKey of 2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is QOIKKSCAYYXPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-12-6-9-5-3-4-8-7(13-2)11(5)10-6/h3-4H,1-2H3.
What are the key properties of 2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine?
2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 180.17 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 67650359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).