methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C14H11N3O3 — CID 136843821

IUPACmethyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c(-c3ccccc3)nn2c1
InChIInChI=1S/C14H11N3O3/c1-20-14(19)10-7-11-13(18)15-12(16-17(11)8-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,18)
InChIKeyNSJXEWDDEIXXGG-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.48
Rot. Bonds2

About methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 136843821) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID136843821
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Namemethyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c(-c3ccccc3)nn2c1
InChIInChI=1S/C14H11N3O3/c1-20-14(19)10-7-11-13(18)15-12(16-17(11)8-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,18)
InChIKeyNSJXEWDDEIXXGG-UHFFFAOYSA-N
XLogP1.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 3-(2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}acetamido)benzoate
CID 22514434
Methyl 6-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyridine-3-carboxylate
CID 137129866
1,3-Dimethyl 5-(2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}acetamido)benzene-1,3-dicarboxylate
CID 16017244
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
Methyl 6-(4-toluidinocarbonyl)nicotinate
CID 586501
ethyl 1-oxo-1H,2H-pyrrolo(1,2-a)pyrazine-7-carboxylate
CID 165753287
Methyl 2-[[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]amino]benzoate
CID 45106469
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-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate
CID 57181294
methyl 5-carbamoyl-1-(2,2-difluoro-2-(4-fluorophenyl)acetamido)-1H-pyrrole-3-carboxylate
CID 66984966

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 136843821) is methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is COC(=O)c1cc2c(=O)[nH]c(-c3ccccc3)nn2c1.
What is the InChIKey of methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is NSJXEWDDEIXXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-14(19)10-7-11-13(18)15-12(16-17(11)8-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,18).
What are the key properties of methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-2-phenyl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 136843821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).