2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid

C15H21N5O4 — CID 119189736

IUPAC2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1c(C)nc2ncnn2c1C
InChIInChI=1S/C15H21N5O4/c1-10-12(11(2)20-15(18-10)16-9-17-20)4-5-13(21)19(6-7-24-3)8-14(22)23/h9H,4-8H2,1-3H3,(H,22,23)
InChIKeyYRUOWHDJFMNAGA-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.23
Rot. Bonds8

About 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid

2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189736) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID119189736
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1c(C)nc2ncnn2c1C
InChIInChI=1S/C15H21N5O4/c1-10-12(11(2)20-15(18-10)16-9-17-20)4-5-13(21)19(6-7-24-3)8-14(22)23/h9H,4-8H2,1-3H3,(H,22,23)
InChIKeyYRUOWHDJFMNAGA-UHFFFAOYSA-N
XLogP0.23
TPSA109.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid (CID 119189736) is 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)CCc1c(C)nc2ncnn2c1C.
What is the InChIKey of 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is YRUOWHDJFMNAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-10-12(11(2)20-15(18-10)16-9-17-20)4-5-13(21)19(6-7-24-3)8-14(22)23/h9H,4-8H2,1-3H3,(H,22,23).
What are the key properties of 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid?
2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).