5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one

C15H20N4O — CID 103221479

IUPAC5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one
SMILESCC(C)CNc1cnn(CCc2cccnc2)c(=O)c1
InChIInChI=1S/C15H20N4O/c1-12(2)9-17-14-8-15(20)19(18-11-14)7-5-13-4-3-6-16-10-13/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3
InChIKeySAFXYBCUBJFXJX-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.95
Rot. Bonds6

About 5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one

5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one (PubChem CID 103221479) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one
PubChem CID103221479
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one
SMILESCC(C)CNc1cnn(CCc2cccnc2)c(=O)c1
InChIInChI=1S/C15H20N4O/c1-12(2)9-17-14-8-15(20)19(18-11-14)7-5-13-4-3-6-16-10-13/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3
InChIKeySAFXYBCUBJFXJX-UHFFFAOYSA-N
XLogP1.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563117
2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 107313022
N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221610
5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109224955
1-methyl-N-(2-pyridin-3-ylethyl)pyrazol-4-amine
CID 79771016
5-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)triazole-4-carboxylic acid
CID 102645727
2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine
CID 63849817
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 118784796
3-(5-methylhexyl)pyridine
CID 54316004
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one?
The IUPAC name of 5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one (CID 103221479) is 5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one is CC(C)CNc1cnn(CCc2cccnc2)c(=O)c1.
What is the InChIKey of 5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one?
The InChIKey is SAFXYBCUBJFXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(2)9-17-14-8-15(20)19(18-11-14)7-5-13-4-3-6-16-10-13/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3.
What are the key properties of 5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one?
5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one has a molecular weight of 272.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one is sourced from PubChem (CID 103221479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).