2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H11N5O2 — CID 125454397

IUPAC2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCOCc1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C8H11N5O2/c1-2-15-4-5-3-6(14)13-8(10-5)11-7(9)12-13/h3H,2,4H2,1H3,(H3,9,10,11,12)
InChIKeyYXJRTGSGHXCSMT-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.46
Rot. Bonds3

About 2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 125454397) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID125454397
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCOCc1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C8H11N5O2/c1-2-15-4-5-3-6(14)13-8(10-5)11-7(9)12-13/h3H,2,4H2,1H3,(H3,9,10,11,12)
InChIKeyYXJRTGSGHXCSMT-UHFFFAOYSA-N
XLogP-0.46
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 125454397) is 2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCOCc1cc(=O)n2[nH]c(N)nc2n1.
What is the InChIKey of 2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YXJRTGSGHXCSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-2-15-4-5-3-6(14)13-8(10-5)11-7(9)12-13/h3H,2,4H2,1H3,(H3,9,10,11,12).
What are the key properties of 2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 209.21 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 125454397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).