5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one

C13H23N3O2 — CID 103221585

IUPAC5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one
SMILESCC(C)CNc1cnn(CCOC(C)C)c(=O)c1
InChIInChI=1S/C13H23N3O2/c1-10(2)8-14-12-7-13(17)16(15-9-12)5-6-18-11(3)4/h7,9-11,14H,5-6,8H2,1-4H3
InChIKeyLTCBXMZNNPRVGM-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.74
Rot. Bonds7

About 5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one

5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one (PubChem CID 103221585) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one
PubChem CID103221585
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one
SMILESCC(C)CNc1cnn(CCOC(C)C)c(=O)c1
InChIInChI=1S/C13H23N3O2/c1-10(2)8-14-12-7-13(17)16(15-9-12)5-6-18-11(3)4/h7,9-11,14H,5-6,8H2,1-4H3
InChIKeyLTCBXMZNNPRVGM-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.74
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-propan-2-yloxyethyl)pyridazin-3-one?
The IUPAC name of 5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one (CID 103221585) is 5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one is CC(C)CNc1cnn(CCOC(C)C)c(=O)c1.
What is the InChIKey of 5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
The InChIKey is LTCBXMZNNPRVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)8-14-12-7-13(17)16(15-9-12)5-6-18-11(3)4/h7,9-11,14H,5-6,8H2,1-4H3.
What are the key properties of 5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
5-(2-methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 1.74, 7 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-propan-2-yloxyethyl)pyridazin-3-one is sourced from PubChem (CID 103221585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).