N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide

C17H24N6O2 — CID 71926452

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
SMILESCCCn1nc2c(cc1=O)CN(CC(=O)Nc1cc(C)nn1C)CC2
InChIInChI=1S/C17H24N6O2/c1-4-6-23-17(25)9-13-10-22(7-5-14(13)20-23)11-16(24)18-15-8-12(2)19-21(15)3/h8-9H,4-7,10-11H2,1-3H3,(H,18,24)
InChIKeyDREMOTXLZFAFAY-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.69
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide (PubChem CID 71926452) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
PubChem CID71926452
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
SMILESCCCn1nc2c(cc1=O)CN(CC(=O)Nc1cc(C)nn1C)CC2
InChIInChI=1S/C17H24N6O2/c1-4-6-23-17(25)9-13-10-22(7-5-14(13)20-23)11-16(24)18-15-8-12(2)19-21(15)3/h8-9H,4-7,10-11H2,1-3H3,(H,18,24)
InChIKeyDREMOTXLZFAFAY-UHFFFAOYSA-N
XLogP0.69
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide (CID 71926452) is N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide is CCCn1nc2c(cc1=O)CN(CC(=O)Nc1cc(C)nn1C)CC2.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
The InChIKey is DREMOTXLZFAFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-4-6-23-17(25)9-13-10-22(7-5-14(13)20-23)11-16(24)18-15-8-12(2)19-21(15)3/h8-9H,4-7,10-11H2,1-3H3,(H,18,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide is sourced from PubChem (CID 71926452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).