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

C15H22N6O — CID 6625865

IUPACN-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCCCNC(=O)CCc1nnc2ccc(N3CCCC3)nn12
InChIInChI=1S/C15H22N6O/c1-2-9-16-15(22)8-7-13-18-17-12-5-6-14(19-21(12)13)20-10-3-4-11-20/h5-6H,2-4,7-11H2,1H3,(H,16,22)
InChIKeyHUJLFMNBBGGSPU-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.18
Rot. Bonds6

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

N-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 6625865) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID6625865
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCCCNC(=O)CCc1nnc2ccc(N3CCCC3)nn12
InChIInChI=1S/C15H22N6O/c1-2-9-16-15(22)8-7-13-18-17-12-5-6-14(19-21(12)13)20-10-3-4-11-20/h5-6H,2-4,7-11H2,1H3,(H,16,22)
InChIKeyHUJLFMNBBGGSPU-UHFFFAOYSA-N
XLogP1.18
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
1-(3,5-Dimethylpiperidin-1-YL)-3-[6-(piperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propan-1-one
CID 20904042
N-isopropyl-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903699
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide
CID 20903700
N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903711
N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903705
N-(sec-butyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903680
N-(3-isopropoxypropyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903731
N-(3-ethoxypropyl)-3-(6-piperidin-1-yl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20956883
Propanamide, N-(6-(1-piperidinyl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)-
CID 3053258
Acetamide, N-(6-(1-piperidinyl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)-
CID 3053351
3-[6-(4-Methylpiperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]-1-(piperidin-1-YL)propan-1-one
CID 20903698

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 6625865) is N-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is CCCNC(=O)CCc1nnc2ccc(N3CCCC3)nn12.
What is the InChIKey of N-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is HUJLFMNBBGGSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-2-9-16-15(22)8-7-13-18-17-12-5-6-14(19-21(12)13)20-10-3-4-11-20/h5-6H,2-4,7-11H2,1H3,(H,16,22).
What are the key properties of N-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 6625865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).