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

C7H9N5O3 — CID 125451357

IUPAC2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1nc2nc(N)[nH]n2c(=O)c1OC
InChIInChI=1S/C7H9N5O3/c1-14-3-4(15-2)9-7-10-6(8)11-12(7)5(3)13/h1-2H3,(H3,8,9,10,11)
InChIKeyAWPBGEGGMZYFCO-UHFFFAOYSA-N
MW211.18 g/mol
LogP-0.98
Rot. Bonds2

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

2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 125451357) has the molecular formula C7H9N5O3 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID125451357
Molecular FormulaC7H9N5O3
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1nc2nc(N)[nH]n2c(=O)c1OC
InChIInChI=1S/C7H9N5O3/c1-14-3-4(15-2)9-7-10-6(8)11-12(7)5(3)13/h1-2H3,(H3,8,9,10,11)
InChIKeyAWPBGEGGMZYFCO-UHFFFAOYSA-N
XLogP-0.98
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 125451357) is 2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1nc2nc(N)[nH]n2c(=O)c1OC.
What is the InChIKey of 2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AWPBGEGGMZYFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3/c1-14-3-4(15-2)9-7-10-6(8)11-12(7)5(3)13/h1-2H3,(H3,8,9,10,11).
What are the key properties of 2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 211.18 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 125451357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).