acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane

C24H28F4N8O2 — CID 171653050

About acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane

acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane (PubChem CID 171653050) has the molecular formula C24H28F4N8O2 and a molecular weight of 536.53 g/mol. Its IUPAC name is acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane.

Molecular Properties

• Compound Name: acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane
• PubChem CID: 171653050
• Molecular Formula: C24H28F4N8O2
• Molecular Weight: 536.53 g/mol
• Exact Mass: 536.23
• IUPAC Name: acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane
• SMILES: C#C.C#C.CC.CN(CCCCc1nc2c3cc(F)cc(F)c3nc(N)n2n1)C(=O)C1NN=C(C(F)F)O1
• InChI: InChI=1S/C18H18F4N8O2.C2H6.2C2H2/c1-29(17(31)16-27-26-15(32-16)13(21)22)5-3-2-4-11-24-14-9-6-8(19)7-10(20)12(9)25-18(23)30(14)28-11;3*1-2/h6-7,13,16,27H,2-5H2,1H3,(H2,23,25);1-2H3;2*1-2H
• InChIKey: JCPPDBRWEYORJC-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 123.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.53
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane?

The IUPAC name of acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane (CID 171653050) is acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane.

What is the SMILES notation for acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane?

The canonical SMILES for acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane is C#C.C#C.CC.CN(CCCCc1nc2c3cc(F)cc(F)c3nc(N)n2n1)C(=O)C1NN=C(C(F)F)O1.

What is the InChIKey of acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane?

The InChIKey is JCPPDBRWEYORJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N8O2.C2H6.2C2H2/c1-29(17(31)16-27-26-15(32-16)13(21)22)5-3-2-4-11-24-14-9-6-8(19)7-10(20)12(9)25-18(23)30(14)28-11;3*1-2/h6-7,13,16,27H,2-5H2,1H3,(H2,23,25);1-2H3;2*1-2H.

What are the key properties of acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane?

acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane has a molecular weight of 536.53 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(difluoromethyl)-N-methyl-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide;ethane is sourced from PubChem (CID 171653050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).