1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

C23H29N7O3 — CID 20904102

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2nnc3ccc(N4CCOCC4)nn23)CC1
InChIInChI=1S/C23H29N7O3/c1-32-19-5-3-2-4-18(19)27-10-12-29(13-11-27)23(31)9-8-21-25-24-20-6-7-22(26-30(20)21)28-14-16-33-17-15-28/h2-7H,8-17H2,1H3
InChIKeyUIGMFGKVIRJNMM-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.25
Rot. Bonds6

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one (PubChem CID 20904102) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
PubChem CID20904102
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2nnc3ccc(N4CCOCC4)nn23)CC1
InChIInChI=1S/C23H29N7O3/c1-32-19-5-3-2-4-18(19)27-10-12-29(13-11-27)23(31)9-8-21-25-24-20-6-7-22(26-30(20)21)28-14-16-33-17-15-28/h2-7H,8-17H2,1H3
InChIKeyUIGMFGKVIRJNMM-UHFFFAOYSA-N
XLogP1.25
TPSA88.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 20903933
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
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52900090
3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 56761905
methyl 2-[3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoylamino]benzoate
CID 20956868
3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 20903864
2-(2-methoxyphenyl)-1-[4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone
CID 162386535
1-(4-methylpiperazin-1-yl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one;hydrochloride
CID 126460416
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate
CID 7317127
1-(3,5-dimethylpiperidin-1-yl)-3-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
CID 20903642
N-(4-fluorophenyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904098
N-[2-(4-methylsulfanylphenyl)ethyl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904150

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one (CID 20904102) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one is COc1ccccc1N1CCN(C(=O)CCc2nnc3ccc(N4CCOCC4)nn23)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The InChIKey is UIGMFGKVIRJNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-32-19-5-3-2-4-18(19)27-10-12-29(13-11-27)23(31)9-8-21-25-24-20-6-7-22(26-30(20)21)28-14-16-33-17-15-28/h2-7H,8-17H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one has a molecular weight of 451.53 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one is sourced from PubChem (CID 20904102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).