ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate

C9H9N3O2 — CID 170452736

IUPACethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1cn2cccc2nn1
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-12-5-3-4-8(12)11-10-7/h3-6H,2H2,1H3
InChIKeyFLHVAAKVSDEZHN-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.91
Rot. Bonds2

About ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate

ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 170452736) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Nameethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
PubChem CID170452736
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Nameethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1cn2cccc2nn1
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-12-5-3-4-8(12)11-10-7/h3-6H,2H2,1H3
InChIKeyFLHVAAKVSDEZHN-UHFFFAOYSA-N
XLogP0.91
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-carbamoylimidazo[1,2-a]pyridine-2-carboxylate
CID 143716769
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 19701330
CID 70300240
CID 70300240
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid
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ethyl 1-(2,6-dimethylphenyl)triazole-4-carboxylate
CID 122241147
ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate
CID 139487972
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 131732205
ethyl 1-tert-butyltriazole-4-carboxylate
CID 13399237
ethyl 1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
CID 87051265

Frequently Asked Questions

What is the IUPAC name of ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate (CID 170452736) is ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate is CCOC(=O)c1cn2cccc2nn1.
What is the InChIKey of ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is FLHVAAKVSDEZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-12-5-3-4-8(12)11-10-7/h3-6H,2H2,1H3.
What are the key properties of ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate?
ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 170452736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).