1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid

C10H9N5O3 — CID 66288893

IUPAC1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)nn1)Nc1ccncc1
InChIInChI=1S/C10H9N5O3/c16-9(12-7-1-3-11-4-2-7)6-15-5-8(10(17)18)13-14-15/h1-5H,6H2,(H,17,18)(H,11,12,16)
InChIKeyHQHKUKMRBFFAKB-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.01
Rot. Bonds4

About 1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid

1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid (PubChem CID 66288893) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid
PubChem CID66288893
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)nn1)Nc1ccncc1
InChIInChI=1S/C10H9N5O3/c16-9(12-7-1-3-11-4-2-7)6-15-5-8(10(17)18)13-14-15/h1-5H,6H2,(H,17,18)(H,11,12,16)
InChIKeyHQHKUKMRBFFAKB-UHFFFAOYSA-N
XLogP0.01
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289113
1-[2-(3-bromoanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059614
1-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]triazole-4-carboxylic acid
CID 66290982
1-[2-[3-(methylaminomethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289946
1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66287862
1-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 66289937
1-[2-(2-aminoanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 66289742
methyl 1-[2-(4-acetamidoanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241471
1-[2-(2,6-difluoro-3-methylanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82803193
2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 19482824
1-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62060401
1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 62060883

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid (CID 66288893) is 1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid is O=C(Cn1cc(C(=O)O)nn1)Nc1ccncc1.
What is the InChIKey of 1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid?
The InChIKey is HQHKUKMRBFFAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c16-9(12-7-1-3-11-4-2-7)6-15-5-8(10(17)18)13-14-15/h1-5H,6H2,(H,17,18)(H,11,12,16).
What are the key properties of 1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid?
1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 66288893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).