1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one

C19H31N5O — CID 53353881

IUPAC1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
SMILESCN(C)CCn1ncc2c(=O)n(C3CC(C)(C)CC(C)(C)C3)ncc21
InChIInChI=1S/C19H31N5O/c1-18(2)9-14(10-19(3,4)13-18)24-17(25)15-11-20-23(8-7-22(5)6)16(15)12-21-24/h11-12,14H,7-10,13H2,1-6H3
InChIKeyOZZTZWGBPZSXLU-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.93
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one

1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one (PubChem CID 53353881) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
PubChem CID53353881
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
SMILESCN(C)CCn1ncc2c(=O)n(C3CC(C)(C)CC(C)(C)C3)ncc21
InChIInChI=1S/C19H31N5O/c1-18(2)9-14(10-19(3,4)13-18)24-17(25)15-11-20-23(8-7-22(5)6)16(15)12-21-24/h11-12,14H,7-10,13H2,1-6H3
InChIKeyOZZTZWGBPZSXLU-UHFFFAOYSA-N
XLogP2.93
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one (CID 53353881) is 1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one is CN(C)CCn1ncc2c(=O)n(C3CC(C)(C)CC(C)(C)C3)ncc21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one?
The InChIKey is OZZTZWGBPZSXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-18(2)9-14(10-19(3,4)13-18)24-17(25)15-11-20-23(8-7-22(5)6)16(15)12-21-24/h11-12,14H,7-10,13H2,1-6H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one?
1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one has a molecular weight of 345.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 53353881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).