4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate

C124H131N31O17 — CID 161168855

About 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate

4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate (PubChem CID 161168855) has the molecular formula C124H131N31O17 and a molecular weight of 2327.61 g/mol. Its IUPAC name is 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate.

Molecular Properties

• Compound Name: 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
• PubChem CID: 161168855
• Molecular Formula: C124H131N31O17
• Molecular Weight: 2327.61 g/mol
• Exact Mass: 2326.03
• IUPAC Name: 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
• SMILES: CCNC(=O)c1ccc(C)c(Nc2nncc3cc(C(=O)OCC)c(C)n23)c1.CCOC(=O)c1cc2cnnc(Nc3cc(C(=O)Nc4ccccc4)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3ccc(C(=O)OC)cc3)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cccc(C(=O)NC4CC4)c3)n2c1C.CNC(=O)c1cc2cnnc(Nc3cc(C(=O)NC4CC4)ccc3C)n2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1nncc2cc(C(=O)NC3CC3)c(C)n12
• InChI: InChI=1S/C24H23N5O3.C22H24N6O2.C20H22N6O2.C20H21N5O3.C20H23N5O3.C18H18N4O4/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;1-12-3-4-14(20(29)24-15-5-6-15)9-19(12)26-22-27-23-11-17-10-18(13(2)28(17)22)21(30)25-16-7-8-16;1-11-4-5-13(18(27)23-14-6-7-14)8-17(11)24-20-25-22-10-15-9-16(19(28)21-3)12(2)26(15)20;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;1-5-21-18(26)14-8-7-12(3)17(9-14)23-20-24-22-11-15-10-16(13(4)25(15)20)19(27)28-6-2;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/h5-14H,4H2,1-3H3,(H,26,30)(H,27,28);3-4,9-11,15-16H,5-8H2,1-2H3,(H,24,29)(H,25,30)(H,26,27);4-5,8-10,14H,6-7H2,1-3H3,(H,21,28)(H,23,27)(H,24,25);4-6,9-11,14H,3,7-8H2,1-2H3,(H,22,26)(H,23,24);7-11H,5-6H2,1-4H3,(H,21,26)(H,23,24);5-10H,4H2,1-3H3,(H,20,21)
• InChIKey: UQXKLJNNPPXWHZ-UHFFFAOYSA-N
• XLogP: 18.35
• TPSA: 588.52 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 41
• Rotatable Bonds: 34
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2327.61
LogP ≤ 5	18.35
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

The IUPAC name of 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate (CID 161168855) is 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate.

What is the SMILES notation for 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

The canonical SMILES for 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate is CCNC(=O)c1ccc(C)c(Nc2nncc3cc(C(=O)OCC)c(C)n23)c1.CCOC(=O)c1cc2cnnc(Nc3cc(C(=O)Nc4ccccc4)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3ccc(C(=O)OC)cc3)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cccc(C(=O)NC4CC4)c3)n2c1C.CNC(=O)c1cc2cnnc(Nc3cc(C(=O)NC4CC4)ccc3C)n2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1nncc2cc(C(=O)NC3CC3)c(C)n12.

What is the InChIKey of 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

The InChIKey is UQXKLJNNPPXWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3.C22H24N6O2.C20H22N6O2.C20H21N5O3.C20H23N5O3.C18H18N4O4/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;1-12-3-4-14(20(29)24-15-5-6-15)9-19(12)26-22-27-23-11-17-10-18(13(2)28(17)22)21(30)25-16-7-8-16;1-11-4-5-13(18(27)23-14-6-7-14)8-17(11)24-20-25-22-10-15-9-16(19(28)21-3)12(2)26(15)20;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;1-5-21-18(26)14-8-7-12(3)17(9-14)23-20-24-22-11-15-10-16(13(4)25(15)20)19(27)28-6-2;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/h5-14H,4H2,1-3H3,(H,26,30)(H,27,28);3-4,9-11,15-16H,5-8H2,1-2H3,(H,24,29)(H,25,30)(H,26,27);4-5,8-10,14H,6-7H2,1-3H3,(H,21,28)(H,23,27)(H,24,25);4-6,9-11,14H,3,7-8H2,1-2H3,(H,22,26)(H,23,24);7-11H,5-6H2,1-4H3,(H,21,26)(H,23,24);5-10H,4H2,1-3H3,(H,20,21).

What are the key properties of 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate has a molecular weight of 2327.61 g/mol, XLogP of 18.35, 34 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-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-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate is sourced from PubChem (CID 161168855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).