6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one

C12H21N3O — CID 62922504

IUPAC6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCNC(C)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-9(2)11(4)13-7-8-15-12(16)6-5-10(3)14-15/h5-6,9,11,13H,7-8H2,1-4H3
InChIKeyCWBAFIDFPHCZOY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.19
Rot. Bonds5

About 6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one

6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one (PubChem CID 62922504) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
PubChem CID62922504
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCNC(C)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-9(2)11(4)13-7-8-15-12(16)6-5-10(3)14-15/h5-6,9,11,13H,7-8H2,1-4H3
InChIKeyCWBAFIDFPHCZOY-UHFFFAOYSA-N
XLogP1.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one (CID 62922504) is 6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCNC(C)C(C)C)n1.
What is the InChIKey of 6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
The InChIKey is CWBAFIDFPHCZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)11(4)13-7-8-15-12(16)6-5-10(3)14-15/h5-6,9,11,13H,7-8H2,1-4H3.
What are the key properties of 6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62922504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).