3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid

C8H11N3O3 — CID 82048380

IUPAC3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid
SMILESCCn1cnnc(CCC(=O)O)c1=O
InChIInChI=1S/C8H11N3O3/c1-2-11-5-9-10-6(8(11)14)3-4-7(12)13/h5H,2-4H2,1H3,(H,12,13)
InChIKeyMDWNUVAINSTDDS-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.32
Rot. Bonds4

About 3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid

3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid (PubChem CID 82048380) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid
PubChem CID82048380
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid
SMILESCCn1cnnc(CCC(=O)O)c1=O
InChIInChI=1S/C8H11N3O3/c1-2-11-5-9-10-6(8(11)14)3-4-7(12)13/h5H,2-4H2,1H3,(H,12,13)
InChIKeyMDWNUVAINSTDDS-UHFFFAOYSA-N
XLogP-0.32
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid?
The IUPAC name of 3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid (CID 82048380) is 3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid?
The canonical SMILES for 3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid is CCn1cnnc(CCC(=O)O)c1=O.
What is the InChIKey of 3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid?
The InChIKey is MDWNUVAINSTDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-11-5-9-10-6(8(11)14)3-4-7(12)13/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid?
3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid is sourced from PubChem (CID 82048380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).