1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid

C12H14N6O3 — CID 107500286

IUPAC1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid
SMILESNc1ccc(CC(=O)NCCn2cc(C(=O)O)nn2)nc1
InChIInChI=1S/C12H14N6O3/c13-8-1-2-9(15-6-8)5-11(19)14-3-4-18-7-10(12(20)21)16-17-18/h1-2,6-7H,3-5,13H2,(H,14,19)(H,20,21)
InChIKeyCBNZMYYMBNPHEO-UHFFFAOYSA-N
MW290.28 g/mol
LogP-0.69
Rot. Bonds6

About 1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid

1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid (PubChem CID 107500286) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid
PubChem CID107500286
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid
SMILESNc1ccc(CC(=O)NCCn2cc(C(=O)O)nn2)nc1
InChIInChI=1S/C12H14N6O3/c13-8-1-2-9(15-6-8)5-11(19)14-3-4-18-7-10(12(20)21)16-17-18/h1-2,6-7H,3-5,13H2,(H,14,19)(H,20,21)
InChIKeyCBNZMYYMBNPHEO-UHFFFAOYSA-N
XLogP-0.69
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 120643105
2-(5-amino-2-pyridinyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 120642533
1-[2-(6-aminohexanoylamino)ethyl]triazole-4-carboxylic acid
CID 107500147
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
1-[2-[(4-amino-3-methylbutanoyl)amino]ethyl]triazole-4-carboxylic acid
CID 107500135
1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid
CID 107500149
2-(5-amino-2-pyridinyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 107339590
2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 107339282
2-(5-amino-2-pyridinyl)-N-octylacetamide
CID 107339440
2-(5-amino-2-pyridinyl)-N-(3-methoxypropyl)acetamide
CID 107337559
1-[2-[3-(propan-2-ylamino)propanoylamino]ethyl]triazole-4-carboxylic acid
CID 107500250
1-[2-[(2,3-dihydroxybenzoyl)amino]ethyl]triazole-4-carboxylic acid
CID 114343389

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid (CID 107500286) is 1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid is Nc1ccc(CC(=O)NCCn2cc(C(=O)O)nn2)nc1.
What is the InChIKey of 1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is CBNZMYYMBNPHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c13-8-1-2-9(15-6-8)5-11(19)14-3-4-18-7-10(12(20)21)16-17-18/h1-2,6-7H,3-5,13H2,(H,14,19)(H,20,21).
What are the key properties of 1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid?
1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 107500286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).