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

C9H13N5O2 — CID 114455442

IUPAC2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCC(N)c1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C9H13N5O2/c1-5-3-7(15)14-9(11-5)12-8(13-14)6(10)4-16-2/h3,6H,4,10H2,1-2H3,(H,11,12,13)
InChIKeyWGUWZAOXHJRGEP-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.63
Rot. Bonds3

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

2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 114455442) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID114455442
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCC(N)c1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C9H13N5O2/c1-5-3-7(15)14-9(11-5)12-8(13-14)6(10)4-16-2/h3,6H,4,10H2,1-2H3,(H,11,12,13)
InChIKeyWGUWZAOXHJRGEP-UHFFFAOYSA-N
XLogP-0.63
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 114455442) is 2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COCC(N)c1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of 2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WGUWZAOXHJRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-5-3-7(15)14-9(11-5)12-8(13-14)6(10)4-16-2/h3,6H,4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 223.24 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 114455442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).