methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C39H54N14O2 — CID 159796254

About methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 159796254) has the molecular formula C39H54N14O2 and a molecular weight of 750.96 g/mol. Its IUPAC name is methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

• Compound Name: methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• PubChem CID: 159796254
• Molecular Formula: C39H54N14O2
• Molecular Weight: 750.96 g/mol
• Exact Mass: 750.46
• IUPAC Name: methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• SMILES: C.COc1cc(C)cc2c1nc(N)n1nc(CN3C4CCC3CN(C)C4)nc21.COc1cc(C)cc2c1nc(N)n1nc(CN3CC4CCC(C3)N4C)nc21
• InChI: InChI=1S/2C19H25N7O.CH4/c1-11-6-14-17(15(7-11)27-3)22-19(20)26-18(14)21-16(23-26)10-25-8-12-4-5-13(9-25)24(12)2;1-11-6-14-17(15(7-11)27-3)22-19(20)26-18(14)21-16(23-26)10-25-12-4-5-13(25)9-24(2)8-12;/h2*6-7,12-13H,4-5,8-10H2,1-3H3,(H2,20,22);1H4
• InChIKey: NJFCYNAFCKYTKK-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 169.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.96
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The IUPAC name of methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 159796254) is methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

What is the SMILES notation for methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The canonical SMILES for methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is C.COc1cc(C)cc2c1nc(N)n1nc(CN3C4CCC3CN(C)C4)nc21.COc1cc(C)cc2c1nc(N)n1nc(CN3CC4CCC(C3)N4C)nc21.

What is the InChIKey of methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The InChIKey is NJFCYNAFCKYTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H25N7O.CH4/c1-11-6-14-17(15(7-11)27-3)22-19(20)26-18(14)21-16(23-26)10-25-8-12-4-5-13(9-25)24(12)2;1-11-6-14-17(15(7-11)27-3)22-19(20)26-18(14)21-16(23-26)10-25-12-4-5-13(25)9-24(2)8-12;/h2*6-7,12-13H,4-5,8-10H2,1-3H3,(H2,20,22);1H4.

What are the key properties of methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 750.96 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 159796254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).