3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid

C13H15N5O3 — CID 61006798

IUPAC3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H15N5O3/c1-2-17(6-5-12(19)20)13(21)10-3-4-11(15-7-10)18-9-14-8-16-18/h3-4,7-9H,2,5-6H2,1H3,(H,19,20)
InChIKeyLMPWNHDPSOVBBJ-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.60
Rot. Bonds6

About 3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid

3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 61006798) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid
PubChem CID61006798
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H15N5O3/c1-2-17(6-5-12(19)20)13(21)10-3-4-11(15-7-10)18-9-14-8-16-18/h3-4,7-9H,2,5-6H2,1H3,(H,19,20)
InChIKeyLMPWNHDPSOVBBJ-UHFFFAOYSA-N
XLogP0.60
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid (CID 61006798) is 3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1ccc(-n2cncn2)nc1.
What is the InChIKey of 3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is LMPWNHDPSOVBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-2-17(6-5-12(19)20)13(21)10-3-4-11(15-7-10)18-9-14-8-16-18/h3-4,7-9H,2,5-6H2,1H3,(H,19,20).
What are the key properties of 3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid?
3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 289.29 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 61006798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).