2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride

C24H33ClN6O5 — CID 66941159

About 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride

2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride (PubChem CID 66941159) has the molecular formula C24H33ClN6O5 and a molecular weight of 521.02 g/mol. Its IUPAC name is 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride
• PubChem CID: 66941159
• Molecular Formula: C24H33ClN6O5
• Molecular Weight: 521.02 g/mol
• Exact Mass: 520.22
• IUPAC Name: 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride
• SMILES: C/N=c1\n(CC(=O)c2cc(OCCO)c(OC)c(C(C)(C)C)c2)nc2c(C)cc(C(=O)NC)nn12.Cl
• InChI: InChI=1S/C24H32N6O5.ClH/c1-14-10-17(22(33)25-5)27-30-21(14)28-29(23(30)26-6)13-18(32)15-11-16(24(2,3)4)20(34-7)19(12-15)35-9-8-31;/h10-12,31H,8-9,13H2,1-7H3,(H,25,33);1H/b26-23+
• InChIKey: OKXVHRHLPRGFHG-VQSOISJUSA-N
• XLogP: 1.71
• TPSA: 132.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.02
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride?

The IUPAC name of 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride (CID 66941159) is 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride.

What is the SMILES notation for 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride?

The canonical SMILES for 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride is C/N=c1\n(CC(=O)c2cc(OCCO)c(OC)c(C(C)(C)C)c2)nc2c(C)cc(C(=O)NC)nn12.Cl.

What is the InChIKey of 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride?

The InChIKey is OKXVHRHLPRGFHG-VQSOISJUSA-N. The full InChI is InChI=1S/C24H32N6O5.ClH/c1-14-10-17(22(33)25-5)27-30-21(14)28-29(23(30)26-6)13-18(32)15-11-16(24(2,3)4)20(34-7)19(12-15)35-9-8-31;/h10-12,31H,8-9,13H2,1-7H3,(H,25,33);1H/b26-23+;.

What are the key properties of 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride?

2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride has a molecular weight of 521.02 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-tert-butyl-5-(2-hydroxyethoxy)-4-methoxyphenyl]-2-oxoethyl]-N,8-dimethyl-3-methylimino-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 66941159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).