2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid

C10H13N3O2 — CID 105460244

IUPAC2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1nncc(C2CCC2)n1
InChIInChI=1S/C10H13N3O2/c1-6(10(14)15)9-12-8(5-11-13-9)7-3-2-4-7/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyRKMCFDFPEINNEP-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.33
Rot. Bonds3

About 2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid

2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid (PubChem CID 105460244) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid
PubChem CID105460244
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1nncc(C2CCC2)n1
InChIInChI=1S/C10H13N3O2/c1-6(10(14)15)9-12-8(5-11-13-9)7-3-2-4-7/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyRKMCFDFPEINNEP-UHFFFAOYSA-N
XLogP1.33
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid?
The IUPAC name of 2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid (CID 105460244) is 2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid?
The canonical SMILES for 2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid is CC(C(=O)O)c1nncc(C2CCC2)n1.
What is the InChIKey of 2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid?
The InChIKey is RKMCFDFPEINNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(10(14)15)9-12-8(5-11-13-9)7-3-2-4-7/h5-7H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid?
2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid is sourced from PubChem (CID 105460244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).