ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate

C12H12N6O2 — CID 139487972

IUPACethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2nc3ccccn3n2)nn1
InChIInChI=1S/C12H12N6O2/c1-2-20-12(19)9-7-17(16-14-9)8-10-13-11-5-3-4-6-18(11)15-10/h3-7H,2,8H2,1H3
InChIKeySAQYZGWGVRCKTI-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.55
Rot. Bonds4

About ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate

ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate (PubChem CID 139487972) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate
PubChem CID139487972
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Nameethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2nc3ccccn3n2)nn1
InChIInChI=1S/C12H12N6O2/c1-2-20-12(19)9-7-17(16-14-9)8-10-13-11-5-3-4-6-18(11)15-10/h3-7H,2,8H2,1H3
InChIKeySAQYZGWGVRCKTI-UHFFFAOYSA-N
XLogP0.55
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[[3,5-bis[(4-ethoxycarbonyltriazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]triazole-4-carboxylate
CID 102226572
ethyl 1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 849724
methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate
CID 113231454
[2-(diethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516472
2-oxopropyl 1-benzyltriazole-4-carboxylate
CID 55640927
ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
CID 170452736
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide
CID 139487736
ethyl 1-tert-butyltriazole-4-carboxylate
CID 13399237
ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]triazole-4-carboxylate
CID 122241517
octyl 1-benzyltriazole-4-carboxylate
CID 132517584
ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate
CID 137049407
ethyl 1-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]triazole-4-carboxylate
CID 96563689

Frequently Asked Questions

What is the IUPAC name of ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate?
The IUPAC name of ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate (CID 139487972) is ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate.
What is the SMILES notation for ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate?
The canonical SMILES for ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate is CCOC(=O)c1cn(Cc2nc3ccccn3n2)nn1.
What is the InChIKey of ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate?
The InChIKey is SAQYZGWGVRCKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-2-20-12(19)9-7-17(16-14-9)8-10-13-11-5-3-4-6-18(11)15-10/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate?
ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate has a molecular weight of 272.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate is sourced from PubChem (CID 139487972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).