ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate

C9H9N3O2 — CID 146473667

IUPACethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
SMILESCCOC(=O)c1cc2cnncn2c1
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)7-3-8-4-10-11-6-12(8)5-7/h3-6H,2H2,1H3
InChIKeyHGISUHXJKDRFCY-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.91
Rot. Bonds2

About ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate

ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate (PubChem CID 146473667) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate.

Molecular Properties

Compound Nameethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
PubChem CID146473667
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Nameethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
SMILESCCOC(=O)c1cc2cnncn2c1
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)7-3-8-4-10-11-6-12(8)5-7/h3-6H,2H2,1H3
InChIKeyHGISUHXJKDRFCY-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

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ethyl 8-aminoindolizine-2-carboxylate
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ethyl 1-bromopyrazole-4-carboxylate
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ethyl 6-methyl-2-propanoylindolizine-7-carboxylate
CID 102279061
ethyl 4-bromo-3-(1,2,4-triazol-4-yl)benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?
The IUPAC name of ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate (CID 146473667) is ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate.
What is the SMILES notation for ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?
The canonical SMILES for ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate is CCOC(=O)c1cc2cnncn2c1.
What is the InChIKey of ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?
The InChIKey is HGISUHXJKDRFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-14-9(13)7-3-8-4-10-11-6-12(8)5-7/h3-6H,2H2,1H3.
What are the key properties of ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?
ethyl pyrrolo[1,2-d][1,2,4]triazine-7-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[1,2-d][1,2,4]triazine-7-carboxylate is sourced from PubChem (CID 146473667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).