1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid

C11H10FN5O3 — CID 104785630

IUPAC1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid
SMILESO=C(NCCn1cc(C(=O)O)nn1)c1cncc(F)c1
InChIInChI=1S/C11H10FN5O3/c12-8-3-7(4-13-5-8)10(18)14-1-2-17-6-9(11(19)20)15-16-17/h3-6H,1-2H2,(H,14,18)(H,19,20)
InChIKeyRVSBPKFEOASTGE-UHFFFAOYSA-N
MW279.23 g/mol
LogP-0.06
Rot. Bonds5

About 1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 104785630) has the molecular formula C11H10FN5O3 and a molecular weight of 279.23 g/mol. Its IUPAC name is 1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID104785630
Molecular FormulaC11H10FN5O3
Molecular Weight279.23 g/mol
Exact Mass279.08
IUPAC Name1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid
SMILESO=C(NCCn1cc(C(=O)O)nn1)c1cncc(F)c1
InChIInChI=1S/C11H10FN5O3/c12-8-3-7(4-13-5-8)10(18)14-1-2-17-6-9(11(19)20)15-16-17/h3-6H,1-2H2,(H,14,18)(H,19,20)
InChIKeyRVSBPKFEOASTGE-UHFFFAOYSA-N
XLogP-0.06
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid (CID 104785630) is 1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid is O=C(NCCn1cc(C(=O)O)nn1)c1cncc(F)c1.
What is the InChIKey of 1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is RVSBPKFEOASTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O3/c12-8-3-7(4-13-5-8)10(18)14-1-2-17-6-9(11(19)20)15-16-17/h3-6H,1-2H2,(H,14,18)(H,19,20).
What are the key properties of 1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 279.23 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-fluoropyridine-3-carbonyl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 104785630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).