ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate

C136H140N32O21 — CID 158136160

About ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate

ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate (PubChem CID 158136160) has the molecular formula C136H140N32O21 and a molecular weight of 2558.82 g/mol. Its IUPAC name is ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
• PubChem CID: 158136160
• Molecular Formula: C136H140N32O21
• Molecular Weight: 2558.82 g/mol
• Exact Mass: 2557.09
• IUPAC Name: ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
• SMILES: CCOC(=O)c1cc2cnnc(Nc3cc(-c4ncco4)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cc(C(=O)Nc4ccccc4)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cc(NC(=O)OC(C)C)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3ccc(C(=O)OC)cc3)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cccc(C(=O)NC4CC4)c3)n2c1C.CCOC(=O)c1cc2cnnc(Nc3ccccc3)n2c1C.CCOC(=O)c1cc2cnnc(Nc3ccccc3C)n2c1C
• InChI: InChI=1S/C24H23N5O3.C21H25N5O4.C20H19N5O3.C20H21N5O3.C18H18N4O4.C17H18N4O2.C16H16N4O2/c1-4-32-23(31)20-13-19-14-25-28-24(29(19)16(20)3)27-21-12-17(11-10-15(21)2)22(30)26-18-8-6-5-7-9-18;1-6-29-19(27)17-10-16-11-22-25-20(26(16)14(17)5)24-18-9-15(8-7-13(18)4)23-21(28)30-12(2)3;1-4-27-19(26)16-10-15-11-22-24-20(25(15)13(16)3)23-17-9-14(6-5-12(17)2)18-21-7-8-28-18;1-3-28-19(27)17-10-16-11-21-24-20(25(16)12(17)2)23-15-6-4-5-13(9-15)18(26)22-14-7-8-14;1-4-26-17(24)15-9-14-10-19-21-18(22(14)11(15)2)20-13-7-5-12(6-8-13)16(23)25-3;1-4-23-16(22)14-9-13-10-18-20-17(21(13)12(14)3)19-15-8-6-5-7-11(15)2;1-3-22-15(21)14-9-13-10-17-19-16(20(13)11(14)2)18-12-7-5-4-6-8-12/h5-14H,4H2,1-3H3,(H,26,30)(H,27,28);7-12H,6H2,1-5H3,(H,23,28)(H,24,25);5-11H,4H2,1-3H3,(H,23,24);4-6,9-11,14H,3,7-8H2,1-2H3,(H,22,26)(H,23,24);5-10H,4H2,1-3H3,(H,20,21);5-10H,4H2,1-3H3,(H,19,20);4-10H,3H2,1-2H3,(H,18,19)
• InChIKey: FTJJTROHDKSOCS-UHFFFAOYSA-N
• XLogP: 24.48
• TPSA: 628.50 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 50
• Rotatable Bonds: 36
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2558.82
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

The IUPAC name of ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate (CID 158136160) is ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate.

What is the SMILES notation for ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

The canonical SMILES for ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate is CCOC(=O)c1cc2cnnc(Nc3cc(-c4ncco4)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cc(C(=O)Nc4ccccc4)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cc(NC(=O)OC(C)C)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3ccc(C(=O)OC)cc3)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cccc(C(=O)NC4CC4)c3)n2c1C.CCOC(=O)c1cc2cnnc(Nc3ccccc3)n2c1C.CCOC(=O)c1cc2cnnc(Nc3ccccc3C)n2c1C.

What is the InChIKey of ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

The InChIKey is FTJJTROHDKSOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3.C21H25N5O4.C20H19N5O3.C20H21N5O3.C18H18N4O4.C17H18N4O2.C16H16N4O2/c1-4-32-23(31)20-13-19-14-25-28-24(29(19)16(20)3)27-21-12-17(11-10-15(21)2)22(30)26-18-8-6-5-7-9-18;1-6-29-19(27)17-10-16-11-22-25-20(26(16)14(17)5)24-18-9-15(8-7-13(18)4)23-21(28)30-12(2)3;1-4-27-19(26)16-10-15-11-22-24-20(25(15)13(16)3)23-17-9-14(6-5-12(17)2)18-21-7-8-28-18;1-3-28-19(27)17-10-16-11-21-24-20(25(16)12(17)2)23-15-6-4-5-13(9-15)18(26)22-14-7-8-14;1-4-26-17(24)15-9-14-10-19-21-18(22(14)11(15)2)20-13-7-5-12(6-8-13)16(23)25-3;1-4-23-16(22)14-9-13-10-18-20-17(21(13)12(14)3)19-15-8-6-5-7-11(15)2;1-3-22-15(21)14-9-13-10-17-19-16(20(13)11(14)2)18-12-7-5-4-6-8-12/h5-14H,4H2,1-3H3,(H,26,30)(H,27,28);7-12H,6H2,1-5H3,(H,23,28)(H,24,25);5-11H,4H2,1-3H3,(H,23,24);4-6,9-11,14H,3,7-8H2,1-2H3,(H,22,26)(H,23,24);5-10H,4H2,1-3H3,(H,20,21);5-10H,4H2,1-3H3,(H,19,20);4-10H,3H2,1-2H3,(H,18,19).

What are the key properties of ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate has a molecular weight of 2558.82 g/mol, XLogP of 24.48, 36 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-anilino-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-(2-methylanilino)pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(propan-2-yloxycarbonylamino)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate is sourced from PubChem (CID 158136160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).