N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine

C49H60F9N19O6 — CID 159317023

About N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine

N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 159317023) has the molecular formula C49H60F9N19O6 and a molecular weight of 1182.13 g/mol. Its IUPAC name is N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
• PubChem CID: 159317023
• Molecular Formula: C49H60F9N19O6
• Molecular Weight: 1182.13 g/mol
• Exact Mass: 1181.48
• IUPAC Name: N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
• SMILES: CN(C)/C=N/CC(=O)c1cccc(/N=C/N(C)C)c1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H](C)C(F)(F)F)n1.COc1nn(C)cc1C(=O)O.C[C@@H](N)C(F)(F)F.C[C@@H](n1cnnc1-c1cccc(N)n1)C(F)(F)F
• InChI: InChI=1S/C16H16F3N7O2.C14H20N4O.C10H10F3N5.C6H8N2O3.C3H6F3N/c1-9(16(17,18)19)26-8-20-23-13(26)11-5-4-6-12(21-11)22-14(27)10-7-25(2)24-15(10)28-3;1-17(2)10-15-9-14(19)12-6-5-7-13(8-12)16-11-18(3)4;1-6(10(11,12)13)18-5-15-17-9(18)7-3-2-4-8(14)16-7;1-8-3-4(6(9)10)5(7-8)11-2;1-2(7)3(4,5)6/h4-9H,1-3H3,(H,21,22,27);5-8,10-11H,9H2,1-4H3;2-6H,1H3,(H2,14,16);3H,1-2H3,(H,9,10);2H,7H2,1H3/b;15-10+,16-11+;;;/t9-;;6-;;2-/m1.1.1/s1
• InChIKey: LDGPCKLQORKFLU-UNDWYWIFSA-N
• XLogP: 7.21
• TPSA: 308.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1182.13
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

The IUPAC name of N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine (CID 159317023) is N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine.

What is the SMILES notation for N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

The canonical SMILES for N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine is CN(C)/C=N/CC(=O)c1cccc(/N=C/N(C)C)c1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H](C)C(F)(F)F)n1.COc1nn(C)cc1C(=O)O.C[C@@H](N)C(F)(F)F.C[C@@H](n1cnnc1-c1cccc(N)n1)C(F)(F)F.

What is the InChIKey of N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

The InChIKey is LDGPCKLQORKFLU-UNDWYWIFSA-N. The full InChI is InChI=1S/C16H16F3N7O2.C14H20N4O.C10H10F3N5.C6H8N2O3.C3H6F3N/c1-9(16(17,18)19)26-8-20-23-13(26)11-5-4-6-12(21-11)22-14(27)10-7-25(2)24-15(10)28-3;1-17(2)10-15-9-14(19)12-6-5-7-13(8-12)16-11-18(3)4;1-6(10(11,12)13)18-5-15-17-9(18)7-3-2-4-8(14)16-7;1-8-3-4(6(9)10)5(7-8)11-2;1-2(7)3(4,5)6/h4-9H,1-3H3,(H,21,22,27);5-8,10-11H,9H2,1-4H3;2-6H,1H3,(H2,14,16);3H,1-2H3,(H,9,10);2H,7H2,1H3/b;15-10+,16-11+;;;/t9-;;6-;;2-/m1.1.1/s1.

What are the key properties of N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 1182.13 g/mol, XLogP of 7.21, 15 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-[2-(dimethylaminomethylideneamino)acetyl]phenyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine;6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 159317023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).