N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

C17H20ClN7O — CID 20903911

IUPACN-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)Nc3ccc(Cl)cn3)n2n1
InChIInChI=1S/C17H20ClN7O/c1-3-24(4-2)16-8-7-14-21-22-15(25(14)23-16)9-10-17(26)20-13-6-5-12(18)11-19-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,26)
InChIKeyQUIDHAAMLOYPSX-UHFFFAOYSA-N
MW373.85 g/mol
LogP2.59
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (PubChem CID 20903911) has the molecular formula C17H20ClN7O and a molecular weight of 373.85 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
PubChem CID20903911
Molecular FormulaC17H20ClN7O
Molecular Weight373.85 g/mol
Exact Mass373.14
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)Nc3ccc(Cl)cn3)n2n1
InChIInChI=1S/C17H20ClN7O/c1-3-24(4-2)16-8-7-14-21-22-15(25(14)23-16)9-10-17(26)20-13-6-5-12(18)11-19-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,26)
InChIKeyQUIDHAAMLOYPSX-UHFFFAOYSA-N
XLogP2.59
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (CID 20903911) is N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is CCN(CC)c1ccc2nnc(CCC(=O)Nc3ccc(Cl)cn3)n2n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The InChIKey is QUIDHAAMLOYPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O/c1-3-24(4-2)16-8-7-14-21-22-15(25(14)23-16)9-10-17(26)20-13-6-5-12(18)11-19-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,26).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide has a molecular weight of 373.85 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is sourced from PubChem (CID 20903911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).