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

C19H30ClN7O — CID 126460416

IUPAC1-(4-methylpiperazin-1-yl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one;hydrochloride
SMILESCC1CCN(c2ccc3nnc(CCC(=O)N4CCN(C)CC4)n3n2)CC1.Cl
InChIInChI=1S/C19H29N7O.ClH/c1-15-7-9-24(10-8-15)18-4-3-16-20-21-17(26(16)22-18)5-6-19(27)25-13-11-23(2)12-14-25;/h3-4,15H,5-14H2,1-2H3;1H
InChIKeyHXWARMUJGKOIPP-UHFFFAOYSA-N
MW407.95 g/mol
LogP1.49
Rot. Bonds4

About 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

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 (PubChem CID 126460416) has the molecular formula C19H30ClN7O and a molecular weight of 407.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one;hydrochloride
PubChem CID126460416
Molecular FormulaC19H30ClN7O
Molecular Weight407.95 g/mol
Exact Mass407.22
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one;hydrochloride
SMILESCC1CCN(c2ccc3nnc(CCC(=O)N4CCN(C)CC4)n3n2)CC1.Cl
InChIInChI=1S/C19H29N7O.ClH/c1-15-7-9-24(10-8-15)18-4-3-16-20-21-17(26(16)22-18)5-6-19(27)25-13-11-23(2)12-14-25;/h3-4,15H,5-14H2,1-2H3;1H
InChIKeyHXWARMUJGKOIPP-UHFFFAOYSA-N
XLogP1.49
TPSA69.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-[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
ethyl 3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoate
CID 155778760
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 20903740
N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903896
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
ethyl 1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]piperidine-3-carboxylate
CID 20903808
1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
CID 122176111
N-(4-ethylphenyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 46344919
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
N-(furan-2-ylmethyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903859

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCN(c2ccc3nnc(CCC(=O)N4CCN(C)CC4)n3n2)CC1.Cl.
What is the InChIKey of 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?
The InChIKey is HXWARMUJGKOIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O.ClH/c1-15-7-9-24(10-8-15)18-4-3-16-20-21-17(26(16)22-18)5-6-19(27)25-13-11-23(2)12-14-25;/h3-4,15H,5-14H2,1-2H3;1H.
What are the key properties of 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?
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 has a molecular weight of 407.95 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126460416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).