methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C15H13FN4O2 — CID 142661738

IUPACmethyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cn2ncnc(Nc3ccc(F)cc3)c2c1C
InChIInChI=1S/C15H13FN4O2/c1-9-12(15(21)22-2)7-20-13(9)14(17-8-18-20)19-11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyWJOAWGFLRMVOQB-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.71
Rot. Bonds3

About methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 142661738) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID142661738
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Namemethyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cn2ncnc(Nc3ccc(F)cc3)c2c1C
InChIInChI=1S/C15H13FN4O2/c1-9-12(15(21)22-2)7-20-13(9)14(17-8-18-20)19-11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyWJOAWGFLRMVOQB-UHFFFAOYSA-N
XLogP2.71
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 23589623
methyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755186
methyl 4-(4-fluoroanilino)-2-methylpyrimidine-5-carboxylate
CID 114214008
methyl 5-methyl-4-[2-methyl-5-[(Z)-N'-(methylcarbamoyl)carbamimidoyl]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 143036177
ethyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 16726210
N-[(2,4-difluorophenyl)methyl]-4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10140649
4-[4-fluoro-2-[(1R)-1-(3-methyl-1,2-oxazol-5-yl)ethoxy]anilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 118189882
dimethyl 2,5-bis(4-fluoroanilino)benzene-1,4-dicarboxylate
CID 21058668
4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 118144876
ethyl 5-benzyl-4-(3-chloro-4-fluoroanilino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 68890652
4-(5-amino-2-methylanilino)-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 24755389
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[4-fluoro-2-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 118189845

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 142661738) is methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is COC(=O)c1cn2ncnc(Nc3ccc(F)cc3)c2c1C.
What is the InChIKey of methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is WJOAWGFLRMVOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-9-12(15(21)22-2)7-20-13(9)14(17-8-18-20)19-11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 300.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluoroanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 142661738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).