1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid

C12H15N5O3 — CID 103257266

IUPAC1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCCOc1ccc(NCCn2cc(C(=O)O)nn2)cn1
InChIInChI=1S/C12H15N5O3/c1-2-20-11-4-3-9(7-14-11)13-5-6-17-8-10(12(18)19)15-16-17/h3-4,7-8,13H,2,5-6H2,1H3,(H,18,19)
InChIKeyGPAYWAAFDQLAQX-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.88
Rot. Bonds7

About 1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 103257266) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID103257266
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCCOc1ccc(NCCn2cc(C(=O)O)nn2)cn1
InChIInChI=1S/C12H15N5O3/c1-2-20-11-4-3-9(7-14-11)13-5-6-17-8-10(12(18)19)15-16-17/h3-4,7-8,13H,2,5-6H2,1H3,(H,18,19)
InChIKeyGPAYWAAFDQLAQX-UHFFFAOYSA-N
XLogP0.88
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 66332703
1-[2-(4-propan-2-ylanilino)ethyl]triazole-4-carboxylic acid
CID 103233333
1-[2-(3-ethylanilino)ethyl]triazole-4-carboxylic acid
CID 103236120
1-[2-(3-acetamidoanilino)ethyl]triazole-4-carboxylic acid
CID 103233895
1-[2-(3-propan-2-ylanilino)ethyl]triazole-4-carboxylic acid
CID 103236551
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethyl]triazole-4-carboxylic acid
CID 103233825
1-[2-(3,5-dichloro-4-fluoroanilino)ethyl]triazole-4-carboxylic acid
CID 107575633
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 107463799
1-[2-[(2-ethoxy-2-oxoethyl)amino]ethyl]triazole-4-carboxylic acid
CID 103239565
1-[2-(pentan-3-ylamino)ethyl]triazole-4-carboxylic acid
CID 103231103
1-[2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 80758877
1-[2-[(3-methylsulfonyl-2-pyridinyl)amino]ethyl]triazole-4-carboxylic acid
CID 114598311

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid (CID 103257266) is 1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid is CCOc1ccc(NCCn2cc(C(=O)O)nn2)cn1.
What is the InChIKey of 1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is GPAYWAAFDQLAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-2-20-11-4-3-9(7-14-11)13-5-6-17-8-10(12(18)19)15-16-17/h3-4,7-8,13H,2,5-6H2,1H3,(H,18,19).
What are the key properties of 1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-ethoxy-3-pyridinyl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103257266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).