6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C44H48N16O4 — CID 167621694

About 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 167621694) has the molecular formula C44H48N16O4 and a molecular weight of 871.01 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 167621694
• Molecular Formula: C44H48N16O4
• Molecular Weight: 871.01 g/mol
• Exact Mass: 870.44
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnn(C3CC3)n2)c1C.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C3CC3)n2)c1C
• InChI: InChI=1S/2C22H24N8O2/c1-12-15(18-11-24-30(29-18)14-8-9-14)4-3-5-16(12)25-17-10-19(26-21(31)13-6-7-13)27-28-20(17)22(32)23-2;1-12-15(20-24-11-30(29-20)14-8-9-14)4-3-5-16(12)25-17-10-18(26-21(31)13-6-7-13)27-28-19(17)22(32)23-2/h2*3-5,10-11,13-14H,6-9H2,1-2H3,(H,23,32)(H2,25,26,27,31)/i2*2D3
• InChIKey: MNLLEYNZGCLTTO-JGRSCJGBSA-N
• XLogP: 5.66
• TPSA: 253.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	871.01
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 167621694) is 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnn(C3CC3)n2)c1C.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C3CC3)n2)c1C.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The InChIKey is MNLLEYNZGCLTTO-JGRSCJGBSA-N. The full InChI is InChI=1S/2C22H24N8O2/c1-12-15(18-11-24-30(29-18)14-8-9-14)4-3-5-16(12)25-17-10-19(26-21(31)13-6-7-13)27-28-20(17)22(32)23-2;1-12-15(20-24-11-30(29-20)14-8-9-14)4-3-5-16(12)25-17-10-18(26-21(31)13-6-7-13)27-28-19(17)22(32)23-2/h2*3-5,10-11,13-14H,6-9H2,1-2H3,(H,23,32)(H2,25,26,27,31)/i2*2D3.

What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 871.01 g/mol, XLogP of 5.66, 16 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 167621694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).