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

C17H21N7O — CID 20903918

IUPAC3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)Nc3cccnc3)n2n1
InChIInChI=1S/C17H21N7O/c1-3-23(4-2)16-8-7-14-20-21-15(24(14)22-16)9-10-17(25)19-13-6-5-11-18-12-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,25)
InChIKeyVXYFBWLWOZKEPU-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.94
Rot. Bonds7

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

3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide (PubChem CID 20903918) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide
PubChem CID20903918
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)Nc3cccnc3)n2n1
InChIInChI=1S/C17H21N7O/c1-3-23(4-2)16-8-7-14-20-21-15(24(14)22-16)9-10-17(25)19-13-6-5-11-18-12-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,25)
InChIKeyVXYFBWLWOZKEPU-UHFFFAOYSA-N
XLogP1.94
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide
CID 20903929
N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903911
4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide
CID 56761755
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20903932
2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 133424969
N-(4-methoxyphenyl)-3-[6-(pyridin-3-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957149
4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide
CID 56761236
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 20903933
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 20903989
N-(3-acetylphenyl)-3-[6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 53369806

Frequently Asked Questions

What is the IUPAC name of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide (CID 20903918) is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide is CCN(CC)c1ccc2nnc(CCC(=O)Nc3cccnc3)n2n1.
What is the InChIKey of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is VXYFBWLWOZKEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-3-23(4-2)16-8-7-14-20-21-15(24(14)22-16)9-10-17(25)19-13-6-5-11-18-12-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,25).
What are the key properties of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide?
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide has a molecular weight of 339.40 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 20903918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).