3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid

C11H13N5O4 — CID 66167067

IUPAC3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCc1c(C(=O)NCC(O)C(=O)O)cnc2ncnn12
InChIInChI=1S/C11H13N5O4/c1-2-7-6(3-13-11-14-5-15-16(7)11)9(18)12-4-8(17)10(19)20/h3,5,8,17H,2,4H2,1H3,(H,12,18)(H,19,20)
InChIKeyHVVKEVSCVNARSX-UHFFFAOYSA-N
MW279.26 g/mol
LogP-1.14
Rot. Bonds5

About 3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid

3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 66167067) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID66167067
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCc1c(C(=O)NCC(O)C(=O)O)cnc2ncnn12
InChIInChI=1S/C11H13N5O4/c1-2-7-6(3-13-11-14-5-15-16(7)11)9(18)12-4-8(17)10(19)20/h3,5,8,17H,2,4H2,1H3,(H,12,18)(H,19,20)
InChIKeyHVVKEVSCVNARSX-UHFFFAOYSA-N
XLogP-1.14
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid (CID 66167067) is 3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid is CCc1c(C(=O)NCC(O)C(=O)O)cnc2ncnn12.
What is the InChIKey of 3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is HVVKEVSCVNARSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-2-7-6(3-13-11-14-5-15-16(7)11)9(18)12-4-8(17)10(19)20/h3,5,8,17H,2,4H2,1H3,(H,12,18)(H,19,20).
What are the key properties of 3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid?
3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 279.26 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66167067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).