(8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one

C19H20N4O2 — CID 26182865

About (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one

(8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one (PubChem CID 26182865) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one.

Molecular Properties

• Compound Name: (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
• PubChem CID: 26182865
• Molecular Formula: C19H20N4O2
• Molecular Weight: 336.39 g/mol
• Exact Mass: 336.16
• IUPAC Name: (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
• SMILES: CCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@@H](C)C3
• InChI: InChI=1S/C19H20N4O2/c1-4-13-17(12-7-5-6-8-16(12)25-3)19-21-20-18-14(23(19)22-13)9-11(2)10-15(18)24/h5-8,11H,4,9-10H2,1-3H3/t11-/m0/s1
• InChIKey: XJUDMIKLWIMQKC-NSHDSACASA-N
• XLogP: 3.13
• TPSA: 69.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.39
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?

The IUPAC name of (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one (CID 26182865) is (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one.

What is the SMILES notation for (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?

The canonical SMILES for (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one is CCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@@H](C)C3.

What is the InChIKey of (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?

The InChIKey is XJUDMIKLWIMQKC-NSHDSACASA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-13-17(12-7-5-6-8-16(12)25-3)19-21-20-18-14(23(19)22-13)9-11(2)10-15(18)24/h5-8,11H,4,9-10H2,1-3H3/t11-/m0/s1.

What are the key properties of (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?

(8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one has a molecular weight of 336.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-ethyl-3-(2-methoxyphenyl)-8-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one is sourced from PubChem (CID 26182865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).