N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide

C22H22N6O — CID 71685166

IUPACN,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
SMILESCN(C)C(=O)CC(Nc1ccc2nnc(-c3ccccc3)n2n1)c1ccccc1
InChIInChI=1S/C22H22N6O/c1-27(2)21(29)15-18(16-9-5-3-6-10-16)23-19-13-14-20-24-25-22(28(20)26-19)17-11-7-4-8-12-17/h3-14,18H,15H2,1-2H3,(H,23,26)
InChIKeyWXYAUZCZFFJIJX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.42
Rot. Bonds6

About N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide

N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide (PubChem CID 71685166) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
PubChem CID71685166
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
SMILESCN(C)C(=O)CC(Nc1ccc2nnc(-c3ccccc3)n2n1)c1ccccc1
InChIInChI=1S/C22H22N6O/c1-27(2)21(29)15-18(16-9-5-3-6-10-16)23-19-13-14-20-24-25-22(28(20)26-19)17-11-7-4-8-12-17/h3-14,18H,15H2,1-2H3,(H,23,26)
InChIKeyWXYAUZCZFFJIJX-UHFFFAOYSA-N
XLogP3.42
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide (CID 71685166) is N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide is CN(C)C(=O)CC(Nc1ccc2nnc(-c3ccccc3)n2n1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
The InChIKey is WXYAUZCZFFJIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-27(2)21(29)15-18(16-9-5-3-6-10-16)23-19-13-14-20-24-25-22(28(20)26-19)17-11-7-4-8-12-17/h3-14,18H,15H2,1-2H3,(H,23,26).
What are the key properties of N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide has a molecular weight of 386.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide is sourced from PubChem (CID 71685166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).