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

C18H28N6O — CID 20903680

IUPACN-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCCC(C)NC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C18H28N6O/c1-4-14(3)19-18(25)8-7-16-21-20-15-5-6-17(22-24(15)16)23-11-9-13(2)10-12-23/h5-6,13-14H,4,7-12H2,1-3H3,(H,19,25)
InChIKeyAUPIBFIHGQULLK-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.21
Rot. Bonds6

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

N-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (PubChem CID 20903680) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
PubChem CID20903680
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCCC(C)NC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C18H28N6O/c1-4-14(3)19-18(25)8-7-16-21-20-15-5-6-17(22-24(15)16)23-11-9-13(2)10-12-23/h5-6,13-14H,4,7-12H2,1-3H3,(H,19,25)
InChIKeyAUPIBFIHGQULLK-UHFFFAOYSA-N
XLogP2.21
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The IUPAC name of N-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (CID 20903680) is N-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The canonical SMILES for N-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is CCC(C)NC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12.
What is the InChIKey of N-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The InChIKey is AUPIBFIHGQULLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-4-14(3)19-18(25)8-7-16-21-20-15-5-6-17(22-24(15)16)23-11-9-13(2)10-12-23/h5-6,13-14H,4,7-12H2,1-3H3,(H,19,25).
What are the key properties of N-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
N-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide has a molecular weight of 344.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is sourced from PubChem (CID 20903680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).