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

C18H18F2N6O — CID 20956872

IUPACN-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESO=C(CCc1nnc2ccc(N3CCCC3)nn12)Nc1cc(F)ccc1F
InChIInChI=1S/C18H18F2N6O/c19-12-3-4-13(20)14(11-12)21-18(27)8-7-16-23-22-15-5-6-17(24-26(15)16)25-9-1-2-10-25/h3-6,11H,1-2,7-10H2,(H,21,27)
InChIKeyCRYTVUSZEICBGG-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.57
Rot. Bonds5

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

N-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 20956872) has the molecular formula C18H18F2N6O and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID20956872
Molecular FormulaC18H18F2N6O
Molecular Weight372.38 g/mol
Exact Mass372.15
IUPAC NameN-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESO=C(CCc1nnc2ccc(N3CCCC3)nn12)Nc1cc(F)ccc1F
InChIInChI=1S/C18H18F2N6O/c19-12-3-4-13(20)14(11-12)21-18(27)8-7-16-23-22-15-5-6-17(24-26(15)16)25-9-1-2-10-25/h3-6,11H,1-2,7-10H2,(H,21,27)
InChIKeyCRYTVUSZEICBGG-UHFFFAOYSA-N
XLogP2.57
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904047
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
N-(4-ethylphenyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 46344919
1-[3-[3-(3,4-dimethylanilino)-3-oxopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 20881419

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 20956872) is N-(2,5-difluorophenyl)-3-(6-pyrrolidin-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-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is O=C(CCc1nnc2ccc(N3CCCC3)nn12)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is CRYTVUSZEICBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O/c19-12-3-4-13(20)14(11-12)21-18(27)8-7-16-23-22-15-5-6-17(24-26(15)16)25-9-1-2-10-25/h3-6,11H,1-2,7-10H2,(H,21,27).
What are the key properties of N-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 372.38 g/mol, XLogP of 2.57, 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-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 20956872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).