ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

C18H19F6N7O — CID 169107376

About ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 169107376) has the molecular formula C18H19F6N7O and a molecular weight of 463.39 g/mol. Its IUPAC name is ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
• PubChem CID: 169107376
• Molecular Formula: C18H19F6N7O
• Molecular Weight: 463.39 g/mol
• Exact Mass: 463.16
• IUPAC Name: ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
• SMILES: CC.Cc1cc(C(F)(F)F)c(C#N)c(NCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1
• InChI: InChI=1S/C16H13F6N7O.C2H6/c1-8-4-10(15(17,18)19)9(5-23)13(25-8)24-6-12(30)28-2-3-29-11(7-28)26-27-14(29)16(20,21)22;1-2/h4H,2-3,6-7H2,1H3,(H,24,25);1-2H3
• InChIKey: RGIAZIPTONKYIS-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 99.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.39
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?

The IUPAC name of ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 169107376) is ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.

What is the SMILES notation for ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?

The canonical SMILES for ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is CC.Cc1cc(C(F)(F)F)c(C#N)c(NCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1.

What is the InChIKey of ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?

The InChIKey is RGIAZIPTONKYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N7O.C2H6/c1-8-4-10(15(17,18)19)9(5-23)13(25-8)24-6-12(30)28-2-3-29-11(7-28)26-27-14(29)16(20,21)22;1-2/h4H,2-3,6-7H2,1H3,(H,24,25);1-2H3.

What are the key properties of ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?

ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 463.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;6-methyl-2-[[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 169107376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).