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

C14H25N3O2 — CID 103221724

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(CCOC(C)(C)C)c(=O)c1
InChIInChI=1S/C14H25N3O2/c1-11(2)9-15-12-8-13(18)17(16-10-12)6-7-19-14(3,4)5/h8,10-11,15H,6-7,9H2,1-5H3
InChIKeyRRHGKBGOBZBSKN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.13
Rot. Bonds6

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

2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one (PubChem CID 103221724) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one
PubChem CID103221724
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(CCOC(C)(C)C)c(=O)c1
InChIInChI=1S/C14H25N3O2/c1-11(2)9-15-12-8-13(18)17(16-10-12)6-7-19-14(3,4)5/h8,10-11,15H,6-7,9H2,1-5H3
InChIKeyRRHGKBGOBZBSKN-UHFFFAOYSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one (CID 103221724) is 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one is CC(C)CNc1cnn(CCOC(C)(C)C)c(=O)c1.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one?
The InChIKey is RRHGKBGOBZBSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)9-15-12-8-13(18)17(16-10-12)6-7-19-14(3,4)5/h8,10-11,15H,6-7,9H2,1-5H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one?
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one has a molecular weight of 267.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one is sourced from PubChem (CID 103221724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).