ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate

C15H15N5O2 — CID 10979388

IUPACethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate
SMILESCCOC(=O)C(Nc1ccccn1)n1nnc2ccccc21
InChIInChI=1S/C15H15N5O2/c1-2-22-15(21)14(17-13-9-5-6-10-16-13)20-12-8-4-3-7-11(12)18-19-20/h3-10,14H,2H2,1H3,(H,16,17)
InChIKeyTZUDAIDFKWFWPT-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.00
Rot. Bonds5

About ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate

ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate (PubChem CID 10979388) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate
PubChem CID10979388
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Nameethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate
SMILESCCOC(=O)C(Nc1ccccn1)n1nnc2ccccc21
InChIInChI=1S/C15H15N5O2/c1-2-22-15(21)14(17-13-9-5-6-10-16-13)20-12-8-4-3-7-11(12)18-19-20/h3-10,14H,2H2,1H3,(H,16,17)
InChIKeyTZUDAIDFKWFWPT-UHFFFAOYSA-N
XLogP2.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
CID 40525614
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N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine
CID 5133674
diethyl 2-(pyridin-2-ylamino)butanedioate
CID 177223404
N-[benzotriazol-1-yl-(4-bromophenyl)methyl]pyridin-2-amine
CID 6611324
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
ethyl N-(benzotriazol-1-yl)carbamate
CID 71192391
ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate
CID 10970442
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
ethyl 2-(benzotriazol-1-yl)-2-[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]acetate
CID 3460643
3-(benzotriazol-1-yl)hexan-2-one
CID 154962693
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate?
The IUPAC name of ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate (CID 10979388) is ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate?
The canonical SMILES for ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate is CCOC(=O)C(Nc1ccccn1)n1nnc2ccccc21.
What is the InChIKey of ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate?
The InChIKey is TZUDAIDFKWFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-22-15(21)14(17-13-9-5-6-10-16-13)20-12-8-4-3-7-11(12)18-19-20/h3-10,14H,2H2,1H3,(H,16,17).
What are the key properties of ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate?
ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate has a molecular weight of 297.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate is sourced from PubChem (CID 10979388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).