4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide

C18H17F3N8O — CID 164600130

About 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide

4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide (PubChem CID 164600130) has the molecular formula C18H17F3N8O and a molecular weight of 418.38 g/mol. Its IUPAC name is 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide
• PubChem CID: 164600130
• Molecular Formula: C18H17F3N8O
• Molecular Weight: 418.38 g/mol
• Exact Mass: 418.15
• IUPAC Name: 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide
• SMILES: CC1(C)CC(C(=O)Nc2cnc(-n3nccn3)c(C(F)(F)F)c2)c2cnnc(N)c21
• InChI: InChI=1S/C18H17F3N8O/c1-17(2)6-10(11-8-24-28-14(22)13(11)17)16(30)27-9-5-12(18(19,20)21)15(23-7-9)29-25-3-4-26-29/h3-5,7-8,10H,6H2,1-2H3,(H2,22,28)(H,27,30)
• InChIKey: IXTNJYOKSPSCPY-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 124.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.38
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide?

The IUPAC name of 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide (CID 164600130) is 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide.

What is the SMILES notation for 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide?

The canonical SMILES for 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide is CC1(C)CC(C(=O)Nc2cnc(-n3nccn3)c(C(F)(F)F)c2)c2cnnc(N)c21.

What is the InChIKey of 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide?

The InChIKey is IXTNJYOKSPSCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N8O/c1-17(2)6-10(11-8-24-28-14(22)13(11)17)16(30)27-9-5-12(18(19,20)21)15(23-7-9)29-25-3-4-26-29/h3-5,7-8,10H,6H2,1-2H3,(H2,22,28)(H,27,30).

What are the key properties of 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide?

4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5,5-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydrocyclopenta[d]pyridazine-7-carboxamide is sourced from PubChem (CID 164600130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).