2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C22H25N7O — CID 169150875

About 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169150875) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

• Compound Name: 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• PubChem CID: 169150875
• Molecular Formula: C22H25N7O
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.21
• IUPAC Name: 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• SMILES: COc1cccc2c1nc(N)n1nc(C3CC(c4ccc(C(C)(C)N)nc4)C3)nc21
• InChI: InChI=1S/C22H25N7O/c1-22(2,24)17-8-7-12(11-25-17)13-9-14(10-13)19-27-20-15-5-4-6-16(30-3)18(15)26-21(23)29(20)28-19/h4-8,11,13-14H,9-10,24H2,1-3H3,(H2,23,26)
• InChIKey: ZNQQFPVETYOYCC-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 117.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The IUPAC name of 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169150875) is 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

What is the SMILES notation for 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The canonical SMILES for 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(C3CC(c4ccc(C(C)(C)N)nc4)C3)nc21.

What is the InChIKey of 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The InChIKey is ZNQQFPVETYOYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-22(2,24)17-8-7-12(11-25-17)13-9-14(10-13)19-27-20-15-5-4-6-16(30-3)18(15)26-21(23)29(20)28-19/h4-8,11,13-14H,9-10,24H2,1-3H3,(H2,23,26).

What are the key properties of 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 403.49 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169150875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).