N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C19H20F2N6O — CID 20904047

IUPACN-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESO=C(CCc1nnc2ccc(N3CCCCC3)nn12)Nc1cc(F)ccc1F
InChIInChI=1S/C19H20F2N6O/c20-13-4-5-14(21)15(12-13)22-19(28)9-8-17-24-23-16-6-7-18(25-27(16)17)26-10-2-1-3-11-26/h4-7,12H,1-3,8-11H2,(H,22,28)
InChIKeyWNFNNTLUCGGKJF-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.96
Rot. Bonds5

About N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 20904047) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID20904047
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC NameN-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESO=C(CCc1nnc2ccc(N3CCCCC3)nn12)Nc1cc(F)ccc1F
InChIInChI=1S/C19H20F2N6O/c20-13-4-5-14(21)15(12-13)22-19(28)9-8-17-24-23-16-6-7-18(25-27(16)17)26-10-2-1-3-11-26/h4-7,12H,1-3,8-11H2,(H,22,28)
InChIKeyWNFNNTLUCGGKJF-UHFFFAOYSA-N
XLogP2.96
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20956872
N-(4-fluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904008
N-(2,4-difluorophenyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20956863
N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904050
N-(3,5-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904002
N-(4-fluorophenyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904098
N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903995
N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903992
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-propylpropanamide
CID 46275085
N-[2-(4-methylsulfanylphenyl)ethyl]-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903834
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 20903989
N-(4-ethylphenyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 46344919

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 20904047) is N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is O=C(CCc1nnc2ccc(N3CCCCC3)nn12)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is WNFNNTLUCGGKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c20-13-4-5-14(21)15(12-13)22-19(28)9-8-17-24-23-16-6-7-18(25-27(16)17)26-10-2-1-3-11-26/h4-7,12H,1-3,8-11H2,(H,22,28).
What are the key properties of N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 386.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 20904047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).