4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

C18H20N4O3 — CID 90183304

About 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (PubChem CID 90183304) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
• PubChem CID: 90183304
• Molecular Formula: C18H20N4O3
• Molecular Weight: 340.38 g/mol
• Exact Mass: 340.15
• IUPAC Name: 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
• SMILES: Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(OC(C)(C)C)cc1
• InChI: InChI=1S/C18H20N4O3/c1-10-14(12-6-8-13(9-7-12)25-18(3,4)5)16-20-19-15(17(23)24)11(2)22(16)21-10/h6-9H,1-5H3,(H,23,24)
• InChIKey: YKAVJUNOSHXRBO-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 89.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.38
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The IUPAC name of 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (CID 90183304) is 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.

What is the SMILES notation for 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The canonical SMILES for 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(OC(C)(C)C)cc1.

What is the InChIKey of 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The InChIKey is YKAVJUNOSHXRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10-14(12-6-8-13(9-7-12)25-18(3,4)5)16-20-19-15(17(23)24)11(2)22(16)21-10/h6-9H,1-5H3,(H,23,24).

What are the key properties of 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is sourced from PubChem (CID 90183304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).