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

C18H23N7O2 — CID 20903859

IUPACN-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCN1CCN(c2ccc3nnc(CCC(=O)NCc4ccco4)n3n2)CC1
InChIInChI=1S/C18H23N7O2/c1-23-8-10-24(11-9-23)17-5-4-15-20-21-16(25(15)22-17)6-7-18(26)19-13-14-3-2-12-27-14/h2-5,12H,6-11,13H2,1H3,(H,19,26)
InChIKeyJOEWQCWHJDRDFD-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.72
Rot. Bonds6

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

N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (PubChem CID 20903859) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
PubChem CID20903859
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC NameN-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCN1CCN(c2ccc3nnc(CCC(=O)NCc4ccco4)n3n2)CC1
InChIInChI=1S/C18H23N7O2/c1-23-8-10-24(11-9-23)17-5-4-15-20-21-16(25(15)22-17)6-7-18(26)19-13-14-3-2-12-27-14/h2-5,12H,6-11,13H2,1H3,(H,19,26)
InChIKeyJOEWQCWHJDRDFD-UHFFFAOYSA-N
XLogP0.72
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903861
N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903896
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903738
N-[2-(cyclohexen-1-yl)ethyl]-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903893
3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 126457851
N-(4-methoxyphenyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903850
methyl 4-[3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoylamino]benzoate
CID 20903900
3-[6-[(2-chlorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 20956981
N-(furan-2-ylmethyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29133390
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-propylpropanamide
CID 46275085
N-(furan-2-ylmethyl)-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 46326781
3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20957119

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (CID 20903859) is N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is CN1CCN(c2ccc3nnc(CCC(=O)NCc4ccco4)n3n2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The InChIKey is JOEWQCWHJDRDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-23-8-10-24(11-9-23)17-5-4-15-20-21-16(25(15)22-17)6-7-18(26)19-13-14-3-2-12-27-14/h2-5,12H,6-11,13H2,1H3,(H,19,26).
What are the key properties of N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide has a molecular weight of 369.43 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is sourced from PubChem (CID 20903859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).