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

C19H23N7O — CID 20903989

IUPAC3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1nnc2ccc(N3CCCCC3)nn12)NCc1cccnc1
InChIInChI=1S/C19H23N7O/c27-19(21-14-15-5-4-10-20-13-15)9-8-17-23-22-16-6-7-18(24-26(16)17)25-11-2-1-3-12-25/h4-7,10,13H,1-3,8-9,11-12,14H2,(H,21,27)
InChIKeyLLUZONWCVXGKQZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.76
Rot. Bonds6

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

3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 20903989) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID20903989
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1nnc2ccc(N3CCCCC3)nn12)NCc1cccnc1
InChIInChI=1S/C19H23N7O/c27-19(21-14-15-5-4-10-20-13-15)9-8-17-23-22-16-6-7-18(24-26(16)17)25-11-2-1-3-12-25/h4-7,10,13H,1-3,8-9,11-12,14H2,(H,21,27)
InChIKeyLLUZONWCVXGKQZ-UHFFFAOYSA-N
XLogP1.76
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-propylpropanamide
CID 46275085
(3S)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 39047918
3-[6-(pyridin-3-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 20957135
1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 29133526
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-fluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904008
N-[(4-methoxyphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903861
2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
CID 121181805
3-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 20903617
N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904047
N-(3,5-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904002
N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903995

Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 20903989) is 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide is O=C(CCc1nnc2ccc(N3CCCCC3)nn12)NCc1cccnc1.
What is the InChIKey of 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is LLUZONWCVXGKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c27-19(21-14-15-5-4-10-20-13-15)9-8-17-23-22-16-6-7-18(24-26(16)17)25-11-2-1-3-12-25/h4-7,10,13H,1-3,8-9,11-12,14H2,(H,21,27).
What are the key properties of 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 365.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 20903989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).