2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H11N5O3 — CID 125454287

IUPAC2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCOc1c(OC)nc2nc(N)[nH]n2c1=O
InChIInChI=1S/C8H11N5O3/c1-3-16-4-5(15-2)10-8-11-7(9)12-13(8)6(4)14/h3H2,1-2H3,(H3,9,10,11,12)
InChIKeyXEXISRKPFGEMIV-UHFFFAOYSA-N
MW225.21 g/mol
LogP-0.59
Rot. Bonds3

About 2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 125454287) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID125454287
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCOc1c(OC)nc2nc(N)[nH]n2c1=O
InChIInChI=1S/C8H11N5O3/c1-3-16-4-5(15-2)10-8-11-7(9)12-13(8)6(4)14/h3H2,1-2H3,(H3,9,10,11,12)
InChIKeyXEXISRKPFGEMIV-UHFFFAOYSA-N
XLogP-0.59
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-Amino-5,6-dimethoxy-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 125451357
2-Amino-5-methoxy-6-(propan-2-yloxy)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 125453857
2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130560782

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 125454287) is 2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCOc1c(OC)nc2nc(N)[nH]n2c1=O.
What is the InChIKey of 2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XEXISRKPFGEMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c1-3-16-4-5(15-2)10-8-11-7(9)12-13(8)6(4)14/h3H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 225.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-5-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 125454287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).