3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide

C16H18N6O — CID 23641602

IUPAC3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide
SMILESCN(C)CCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12
InChIInChI=1S/C16H18N6O/c1-22(2)9-8-14(23)17-15-12-10-13(11-6-4-3-5-7-11)18-20-16(12)21-19-15/h3-7,10H,8-9H2,1-2H3,(H2,17,19,20,21,23)
InChIKeyWWYLRJCPUROBDY-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.91
Rot. Bonds5

About 3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide

3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide (PubChem CID 23641602) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide
PubChem CID23641602
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide
SMILESCN(C)CCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12
InChIInChI=1S/C16H18N6O/c1-22(2)9-8-14(23)17-15-12-10-13(11-6-4-3-5-7-11)18-20-16(12)21-19-15/h3-7,10H,8-9H2,1-2H3,(H2,17,19,20,21,23)
InChIKeyWWYLRJCPUROBDY-UHFFFAOYSA-N
XLogP1.91
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide?
The IUPAC name of 3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide (CID 23641602) is 3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide?
The canonical SMILES for 3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide is CN(C)CCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12.
What is the InChIKey of 3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide?
The InChIKey is WWYLRJCPUROBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-22(2)9-8-14(23)17-15-12-10-13(11-6-4-3-5-7-11)18-20-16(12)21-19-15/h3-7,10H,8-9H2,1-2H3,(H2,17,19,20,21,23).
What are the key properties of 3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide?
3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide has a molecular weight of 310.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide is sourced from PubChem (CID 23641602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).