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

C19H21N5O4 — CID 24755189

IUPACmethyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
InChIInChI=1S/C19H21N5O4/c1-5-28-23-18(25)13-7-6-11(2)15(8-13)22-17-16-12(3)14(19(26)27-4)9-24(16)21-10-20-17/h6-10H,5H2,1-4H3,(H,23,25)(H,20,21,22)
InChIKeyJGGHHUHKLRMREP-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.56
Rot. Bonds6

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

methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 24755189) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID24755189
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Namemethyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
InChIInChI=1S/C19H21N5O4/c1-5-28-23-18(25)13-7-6-11(2)15(8-13)22-17-16-12(3)14(19(26)27-4)9-24(16)21-10-20-17/h6-10H,5H2,1-4H3,(H,23,25)(H,20,21,22)
InChIKeyJGGHHUHKLRMREP-UHFFFAOYSA-N
XLogP2.56
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 24755189) is methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CCONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1.
What is the InChIKey of methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is JGGHHUHKLRMREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-5-28-23-18(25)13-7-6-11(2)15(8-13)22-17-16-12(3)14(19(26)27-4)9-24(16)21-10-20-17/h6-10H,5H2,1-4H3,(H,23,25)(H,20,21,22).
What are the key properties of methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 383.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 24755189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).