N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate

C107H114N28O15 — CID 158614947

About N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate

N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate (PubChem CID 158614947) has the molecular formula C107H114N28O15 and a molecular weight of 2032.27 g/mol. Its IUPAC name is N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate.

Molecular Properties

• Compound Name: N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
• PubChem CID: 158614947
• Molecular Formula: C107H114N28O15
• Molecular Weight: 2032.27 g/mol
• Exact Mass: 2030.90
• IUPAC Name: N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
• SMILES: CCOC(=O)Nc1ccc(C)c(Nc2nncc3cc(C(=O)OCC)c(C)n23)c1.CCOC(=O)c1cc2cnnc(Nc3cc(-c4ncn[nH]4)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cc(C(=O)NC4CC4)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cc(C(=O)NC4CC4)ccc3OC)n2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1nncc2cc(C(=O)NCc3ccccc3)c(C)n12
• InChI: InChI=1S/C26H26N6O2.C21H23N5O4.C21H23N5O3.C20H23N5O4.C19H19N7O2/c1-16-8-9-19(24(33)29-20-10-11-20)12-23(16)30-26-31-28-15-21-13-22(17(2)32(21)26)25(34)27-14-18-6-4-3-5-7-18;1-4-30-20(28)16-10-15-11-22-25-21(26(15)12(16)2)24-17-9-13(5-8-18(17)29-3)19(27)23-14-6-7-14;1-4-29-20(28)17-10-16-11-22-25-21(26(16)13(17)3)24-18-9-14(6-5-12(18)2)19(27)23-15-7-8-15;1-5-28-18(26)16-10-15-11-21-24-19(25(15)13(16)4)23-17-9-14(8-7-12(17)3)22-20(27)29-6-2;1-4-28-18(27)15-8-14-9-21-25-19(26(14)12(15)3)23-16-7-13(6-5-11(16)2)17-20-10-22-24-17/h3-9,12-13,15,20H,10-11,14H2,1-2H3,(H,27,34)(H,29,33)(H,30,31);5,8-11,14H,4,6-7H2,1-3H3,(H,23,27)(H,24,25);5-6,9-11,15H,4,7-8H2,1-3H3,(H,23,27)(H,24,25);7-11H,5-6H2,1-4H3,(H,22,27)(H,23,24);5-10H,4H2,1-3H3,(H,23,25)(H,20,22,24)
• InChIKey: HXGWANURODRRJQ-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 521.83 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2032.27
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

The IUPAC name of N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate (CID 158614947) is N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate.

What is the SMILES notation for N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

The canonical SMILES for N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate is CCOC(=O)Nc1ccc(C)c(Nc2nncc3cc(C(=O)OCC)c(C)n23)c1.CCOC(=O)c1cc2cnnc(Nc3cc(-c4ncn[nH]4)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cc(C(=O)NC4CC4)ccc3C)n2c1C.CCOC(=O)c1cc2cnnc(Nc3cc(C(=O)NC4CC4)ccc3OC)n2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1nncc2cc(C(=O)NCc3ccccc3)c(C)n12.

What is the InChIKey of N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

The InChIKey is HXGWANURODRRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2.C21H23N5O4.C21H23N5O3.C20H23N5O4.C19H19N7O2/c1-16-8-9-19(24(33)29-20-10-11-20)12-23(16)30-26-31-28-15-21-13-22(17(2)32(21)26)25(34)27-14-18-6-4-3-5-7-18;1-4-30-20(28)16-10-15-11-22-25-21(26(15)12(16)2)24-17-9-13(5-8-18(17)29-3)19(27)23-14-6-7-14;1-4-29-20(28)17-10-16-11-22-25-21(26(16)13(17)3)24-18-9-14(6-5-12(18)2)19(27)23-15-7-8-15;1-5-28-18(26)16-10-15-11-21-24-19(25(15)13(16)4)23-17-9-14(8-7-12(17)3)22-20(27)29-6-2;1-4-28-18(27)15-8-14-9-21-25-19(26(14)12(15)3)23-16-7-13(6-5-11(16)2)17-20-10-22-24-17/h3-9,12-13,15,20H,10-11,14H2,1-2H3,(H,27,34)(H,29,33)(H,30,31);5,8-11,14H,4,6-7H2,1-3H3,(H,23,27)(H,24,25);5-6,9-11,15H,4,7-8H2,1-3H3,(H,23,27)(H,24,25);7-11H,5-6H2,1-4H3,(H,22,27)(H,23,24);5-10H,4H2,1-3H3,(H,23,25)(H,20,22,24).

What are the key properties of N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate?

N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate has a molecular weight of 2032.27 g/mol, XLogP of 16.82, 31 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methoxyanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethoxycarbonylamino)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate is sourced from PubChem (CID 158614947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).