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

C19H21N5O3 — CID 24755188

IUPACmethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
InChIInChI=1S/C19H21N5O3/c1-5-20-18(25)13-7-6-11(2)15(8-13)23-17-16-12(3)14(19(26)27-4)9-24(16)22-10-21-17/h6-10H,5H2,1-4H3,(H,20,25)(H,21,22,23)
InChIKeyASPLJNYTZWLACI-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.63
Rot. Bonds5

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

methyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 24755188) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID24755188
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Namemethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
InChIInChI=1S/C19H21N5O3/c1-5-20-18(25)13-7-6-11(2)15(8-13)23-17-16-12(3)14(19(26)27-4)9-24(16)22-10-21-17/h6-10H,5H2,1-4H3,(H,20,25)(H,21,22,23)
InChIKeyASPLJNYTZWLACI-UHFFFAOYSA-N
XLogP2.63
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of methyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 24755188) is methyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for methyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for methyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1.
What is the InChIKey of methyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is ASPLJNYTZWLACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-5-20-18(25)13-7-6-11(2)15(8-13)23-17-16-12(3)14(19(26)27-4)9-24(16)22-10-21-17/h6-10H,5H2,1-4H3,(H,20,25)(H,21,22,23).
What are the key properties of methyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
methyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 24755188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).