2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride

C24H25Cl3N10O4S — CID 160556367

About 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride

2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride (PubChem CID 160556367) has the molecular formula C24H25Cl3N10O4S and a molecular weight of 655.96 g/mol. Its IUPAC name is 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride.

Molecular Properties

• Compound Name: 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride
• PubChem CID: 160556367
• Molecular Formula: C24H25Cl3N10O4S
• Molecular Weight: 655.96 g/mol
• Exact Mass: 654.08
• IUPAC Name: 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride
• SMILES: COc1cccc2c1nc(N)n1nc(CCCl)nc21.COc1cccc2c1nc(N)n1nc(CCO)nc21.O=S(Cl)Cl
• InChI: InChI=1S/C12H12ClN5O.C12H13N5O2.Cl2OS/c1-19-8-4-2-3-7-10(8)16-12(14)18-11(7)15-9(17-18)5-6-13;1-19-8-4-2-3-7-10(8)15-12(13)17-11(7)14-9(16-17)5-6-18;1-4(2)3/h2-4H,5-6H2,1H3,(H2,14,16);2-4,18H,5-6H2,1H3,(H2,13,15)
• InChIKey: QYSUYYKIANBQRF-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 193.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.96
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride?

The IUPAC name of 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride (CID 160556367) is 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride.

What is the SMILES notation for 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride?

The canonical SMILES for 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride is COc1cccc2c1nc(N)n1nc(CCCl)nc21.COc1cccc2c1nc(N)n1nc(CCO)nc21.O=S(Cl)Cl.

What is the InChIKey of 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride?

The InChIKey is QYSUYYKIANBQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O.C12H13N5O2.Cl2OS/c1-19-8-4-2-3-7-10(8)16-12(14)18-11(7)15-9(17-18)5-6-13;1-19-8-4-2-3-7-10(8)15-12(13)17-11(7)14-9(16-17)5-6-18;1-4(2)3/h2-4H,5-6H2,1H3,(H2,14,16);2-4,18H,5-6H2,1H3,(H2,13,15);.

What are the key properties of 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride?

2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride has a molecular weight of 655.96 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride is sourced from PubChem (CID 160556367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).