ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C15H14F3N5O3 — CID 171529752

IUPACethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c(C3=CNC(N)C=C3C(F)(F)F)nn2c1
InChIInChI=1S/C15H14F3N5O3/c1-2-26-14(25)7-3-10-13(24)21-12(22-23(10)6-7)8-5-20-11(19)4-9(8)15(16,17)18/h3-6,11,20H,2,19H2,1H3,(H,21,22,24)
InChIKeyCAPFJRKURXGXOC-UHFFFAOYSA-N
MW369.30 g/mol
LogP0.92
Rot. Bonds3

About ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 171529752) has the molecular formula C15H14F3N5O3 and a molecular weight of 369.30 g/mol. Its IUPAC name is ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID171529752
Molecular FormulaC15H14F3N5O3
Molecular Weight369.30 g/mol
Exact Mass369.10
IUPAC Nameethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c(C3=CNC(N)C=C3C(F)(F)F)nn2c1
InChIInChI=1S/C15H14F3N5O3/c1-2-26-14(25)7-3-10-13(24)21-12(22-23(10)6-7)8-5-20-11(19)4-9(8)15(16,17)18/h3-6,11,20H,2,19H2,1H3,(H,21,22,24)
InChIKeyCAPFJRKURXGXOC-UHFFFAOYSA-N
XLogP0.92
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate with MolForge

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Related Compounds

Ethyl 4-hydroxy-5-isopropylpyrrolo[1,2-F][1,2,4]triazine-6-carboxylate
CID 135410235
Methyl 5-methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 135510278
ethyl 1-oxo-1H,2H-pyrrolo(1,2-a)pyrazine-7-carboxylate
CID 165753287
Ethyl 1,4-dihydro-5-methyl-4-oxopyrrolo(2,1-f)(1,2,4)triazine-6-carboxylate
CID 135438448
Ethyl 1,4-dihydro-4-oxopyrrolo[2,1-f][1,2,4]triazine-5-carboxylate
CID 135742068
methyl 2-[4-(2,2-dimethylpropanoylamino)-2-(trifluoromethyl)phenyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 136950025
methyl 2-[6-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)pyridin-3-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 137010662
methyl 2-[6-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 141453407
2,2-dimethylpropanal;methyl 2-[6-(methylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 145674938
methyl 2-[6-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)pyridin-3-yl]-4-oxo-7-(trifluoromethyl)-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 146606084
methyl 2-[6-(methoxycarbonylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 156192443
ethyl 2-(3-fluoro-4-methylphenyl)-4-oxo-5-(trifluoromethyl)-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 156365206

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 171529752) is ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CCOC(=O)c1cc2c(=O)[nH]c(C3=CNC(N)C=C3C(F)(F)F)nn2c1.
What is the InChIKey of ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is CAPFJRKURXGXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O3/c1-2-26-14(25)7-3-10-13(24)21-12(22-23(10)6-7)8-5-20-11(19)4-9(8)15(16,17)18/h3-6,11,20H,2,19H2,1H3,(H,21,22,24).
What are the key properties of ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 369.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 171529752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).