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

C17H19N7O — CID 20903757

IUPACN-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESO=C(CCc1nnc2ccc(N3CCCC3)nn12)Nc1cccnc1
InChIInChI=1S/C17H19N7O/c25-17(19-13-4-3-9-18-12-13)8-7-15-21-20-14-5-6-16(22-24(14)15)23-10-1-2-11-23/h3-6,9,12H,1-2,7-8,10-11H2,(H,19,25)
InChIKeySPUNAZBTJSIYIF-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.69
Rot. Bonds5

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

N-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 20903757) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is N-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID20903757
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESO=C(CCc1nnc2ccc(N3CCCC3)nn12)Nc1cccnc1
InChIInChI=1S/C17H19N7O/c25-17(19-13-4-3-9-18-12-13)8-7-15-21-20-14-5-6-16(22-24(14)15)23-10-1-2-11-23/h3-6,9,12H,1-2,7-8,10-11H2,(H,19,25)
InChIKeySPUNAZBTJSIYIF-UHFFFAOYSA-N
XLogP1.69
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 20903757) is N-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is O=C(CCc1nnc2ccc(N3CCCC3)nn12)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is SPUNAZBTJSIYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c25-17(19-13-4-3-9-18-12-13)8-7-15-21-20-14-5-6-16(22-24(14)15)23-10-1-2-11-23/h3-6,9,12H,1-2,7-8,10-11H2,(H,19,25).
What are the key properties of N-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 337.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 20903757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).