3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide

C20H26N6O2 — CID 20903932

IUPAC3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)NCc3ccc(OC)cc3)n2n1
InChIInChI=1S/C20H26N6O2/c1-4-25(5-2)19-11-10-17-22-23-18(26(17)24-19)12-13-20(27)21-14-15-6-8-16(28-3)9-7-15/h6-11H,4-5,12-14H2,1-3H3,(H,21,27)
InChIKeyGMFNXENDCBASIS-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.23
Rot. Bonds9

About 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide

3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 20903932) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID20903932
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)NCc3ccc(OC)cc3)n2n1
InChIInChI=1S/C20H26N6O2/c1-4-25(5-2)19-11-10-17-22-23-18(26(17)24-19)12-13-20(27)21-14-15-6-8-16(28-3)9-7-15/h6-11H,4-5,12-14H2,1-3H3,(H,21,27)
InChIKeyGMFNXENDCBASIS-UHFFFAOYSA-N
XLogP2.23
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20957119
3-[6-[(4-chlorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 20957372
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903911
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
3-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 20957275
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 133424969
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
N-[(4-methoxyphenyl)methyl]-3-[7-(4-methoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propanamide
CID 20949152
N-[2-(diethylamino)ethyl]-3-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957278

Frequently Asked Questions

What is the IUPAC name of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 20903932) is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide is CCN(CC)c1ccc2nnc(CCC(=O)NCc3ccc(OC)cc3)n2n1.
What is the InChIKey of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is GMFNXENDCBASIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-4-25(5-2)19-11-10-17-22-23-18(26(17)24-19)12-13-20(27)21-14-15-6-8-16(28-3)9-7-15/h6-11H,4-5,12-14H2,1-3H3,(H,21,27).
What are the key properties of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 382.47 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 20903932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).