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

C19H30N6O — CID 20903705

IUPACN-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCC(C)CCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C19H30N6O/c1-14(2)8-11-20-19(26)7-6-17-22-21-16-4-5-18(23-25(16)17)24-12-9-15(3)10-13-24/h4-5,14-15H,6-13H2,1-3H3,(H,20,26)
InChIKeyQYBQRAZJJBQQCQ-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.46
Rot. Bonds7

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

N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (PubChem CID 20903705) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
PubChem CID20903705
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC NameN-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCC(C)CCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C19H30N6O/c1-14(2)8-11-20-19(26)7-6-17-22-21-16-4-5-18(23-25(16)17)24-12-9-15(3)10-13-24/h4-5,14-15H,6-13H2,1-3H3,(H,20,26)
InChIKeyQYBQRAZJJBQQCQ-UHFFFAOYSA-N
XLogP2.46
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The IUPAC name of N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (CID 20903705) is N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is CC(C)CCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12.
What is the InChIKey of N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The InChIKey is QYBQRAZJJBQQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-14(2)8-11-20-19(26)7-6-17-22-21-16-4-5-18(23-25(16)17)24-12-9-15(3)10-13-24/h4-5,14-15H,6-13H2,1-3H3,(H,20,26).
What are the key properties of N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide has a molecular weight of 358.49 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is sourced from PubChem (CID 20903705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).