(6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C15H16N4OS — CID 135874822

About (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

(6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 135874822) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

• Compound Name: (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
• PubChem CID: 135874822
• Molecular Formula: C15H16N4OS
• Molecular Weight: 300.39 g/mol
• Exact Mass: 300.10
• IUPAC Name: (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
• SMILES: Cc1nc2n(n1)[C@@H](c1cccs1)C1=C(C[C@@H](C)CC1=O)N2
• InChI: InChI=1S/C15H16N4OS/c1-8-6-10-13(11(20)7-8)14(12-4-3-5-21-12)19-15(17-10)16-9(2)18-19/h3-5,8,14H,6-7H2,1-2H3,(H,16,17,18)/t8-,14+/m1/s1
• InChIKey: LNOJZFNMSKNKFA-CLAHSXSESA-N
• XLogP: 2.92
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.39
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?

The IUPAC name of (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 135874822) is (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

What is the SMILES notation for (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?

The canonical SMILES for (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is Cc1nc2n(n1)[C@@H](c1cccs1)C1=C(C[C@@H](C)CC1=O)N2.

What is the InChIKey of (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?

The InChIKey is LNOJZFNMSKNKFA-CLAHSXSESA-N. The full InChI is InChI=1S/C15H16N4OS/c1-8-6-10-13(11(20)7-8)14(12-4-3-5-21-12)19-15(17-10)16-9(2)18-19/h3-5,8,14H,6-7H2,1-2H3,(H,16,17,18)/t8-,14+/m1/s1.

What are the key properties of (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?

(6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 300.39 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,9R)-2,6-dimethyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 135874822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).