2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine

C23H27N7O2 — CID 169150989

About 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine

2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine (PubChem CID 169150989) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine.

Molecular Properties

• Compound Name: 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine
• PubChem CID: 169150989
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine
• SMILES: COc1cccc2c1nc(N)n1nc(C3CCC3)nc21.Cc1cncc(C2(N)COC2)c1
• InChI: InChI=1S/C14H15N5O.C9H12N2O/c1-20-10-7-3-6-9-11(10)16-14(15)19-13(9)17-12(18-19)8-4-2-5-8;1-7-2-8(4-11-3-7)9(10)5-12-6-9/h3,6-8H,2,4-5H2,1H3,(H2,15,16);2-4H,5-6,10H2,1H3
• InChIKey: AHEVCZMFBDIVAU-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 126.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine (CID 169150989) is 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine.

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

The canonical SMILES for 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine is COc1cccc2c1nc(N)n1nc(C3CCC3)nc21.Cc1cncc(C2(N)COC2)c1.

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

The InChIKey is AHEVCZMFBDIVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O.C9H12N2O/c1-20-10-7-3-6-9-11(10)16-14(15)19-13(9)17-12(18-19)8-4-2-5-8;1-7-2-8(4-11-3-7)9(10)5-12-6-9/h3,6-8H,2,4-5H2,1H3,(H2,15,16);2-4H,5-6,10H2,1H3.

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

2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine has a molecular weight of 433.52 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine is sourced from PubChem (CID 169150989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).