5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one

C14H23N3O2 — CID 103221655

IUPAC5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
SMILESCC(C)CNc1cnn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C14H23N3O2/c1-11(2)9-15-12-8-14(18)17(16-10-12)6-5-13-4-3-7-19-13/h8,10-11,13,15H,3-7,9H2,1-2H3
InChIKeyZWZNUATTXDXVPI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.88
Rot. Bonds6

About 5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one

5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one (PubChem CID 103221655) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
PubChem CID103221655
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
SMILESCC(C)CNc1cnn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C14H23N3O2/c1-11(2)9-15-12-8-14(18)17(16-10-12)6-5-13-4-3-7-19-13/h8,10-11,13,15H,3-7,9H2,1-2H3
InChIKeyZWZNUATTXDXVPI-UHFFFAOYSA-N
XLogP1.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one (CID 103221655) is 5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one is CC(C)CNc1cnn(CCC2CCCO2)c(=O)c1.
What is the InChIKey of 5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The InChIKey is ZWZNUATTXDXVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)9-15-12-8-14(18)17(16-10-12)6-5-13-4-3-7-19-13/h8,10-11,13,15H,3-7,9H2,1-2H3.
What are the key properties of 5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
5-(2-methylpropylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 1.88, 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-(oxolan-2-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 103221655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).