N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide

C19H20F3N5O2 — CID 69398781

About N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide

N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide (PubChem CID 69398781) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
• PubChem CID: 69398781
• Molecular Formula: C19H20F3N5O2
• Molecular Weight: 407.40 g/mol
• Exact Mass: 407.16
• IUPAC Name: N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
• SMILES: CCNC(=O)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nn1
• InChI: InChI=1S/C19H20F3N5O2/c1-2-23-17(28)15-8-9-16(25-24-15)26-10-5-11-27(12-26)18(29)13-6-3-4-7-14(13)19(20,21)22/h3-4,6-9H,2,5,10-12H2,1H3,(H,23,28)
• InChIKey: MGUWZWUCJUHUNX-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.40
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?

The IUPAC name of N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide (CID 69398781) is N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide is CCNC(=O)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nn1.

What is the InChIKey of N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?

The InChIKey is MGUWZWUCJUHUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-2-23-17(28)15-8-9-16(25-24-15)26-10-5-11-27(12-26)18(29)13-6-3-4-7-14(13)19(20,21)22/h3-4,6-9H,2,5,10-12H2,1H3,(H,23,28).

What are the key properties of N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?

N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 69398781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).