N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

C22H28N6O — CID 133364242

IUPACN-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCCC(Nc1ccc(-n2ccc(C)n2)nn1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H28N6O/c1-3-19(20-16-27(13-14-29-20)15-18-7-5-4-6-8-18)23-21-9-10-22(25-24-21)28-12-11-17(2)26-28/h4-12,19-20H,3,13-16H2,1-2H3,(H,23,24)
InChIKeyGOKQOWBPFWXMFK-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.06
Rot. Bonds7

About N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (PubChem CID 133364242) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
PubChem CID133364242
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCCC(Nc1ccc(-n2ccc(C)n2)nn1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H28N6O/c1-3-19(20-16-27(13-14-29-20)15-18-7-5-4-6-8-18)23-21-9-10-22(25-24-21)28-12-11-17(2)26-28/h4-12,19-20H,3,13-16H2,1-2H3,(H,23,24)
InChIKeyGOKQOWBPFWXMFK-UHFFFAOYSA-N
XLogP3.06
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile
CID 133364280
N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133420372
6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
CID 133364240
6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133364265
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
CID 119900647
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
CID 97095923
5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide
CID 120647819
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
CID 120613507

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (CID 133364242) is N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is CCC(Nc1ccc(-n2ccc(C)n2)nn1)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The InChIKey is GOKQOWBPFWXMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-3-19(20-16-27(13-14-29-20)15-18-7-5-4-6-8-18)23-21-9-10-22(25-24-21)28-12-11-17(2)26-28/h4-12,19-20H,3,13-16H2,1-2H3,(H,23,24).
What are the key properties of N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine has a molecular weight of 392.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 133364242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).