6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one

C15H27N3O — CID 82443565

IUPAC6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
SMILESCCn1nc(C(C)(C)C)cc(CNCC(C)C)c1=O
InChIInChI=1S/C15H27N3O/c1-7-18-14(19)12(10-16-9-11(2)3)8-13(17-18)15(4,5)6/h8,11,16H,7,9-10H2,1-6H3
InChIKeyKOXAWHTVYSGAPV-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.31
Rot. Bonds5

About 6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one

6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one (PubChem CID 82443565) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
PubChem CID82443565
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
SMILESCCn1nc(C(C)(C)C)cc(CNCC(C)C)c1=O
InChIInChI=1S/C15H27N3O/c1-7-18-14(19)12(10-16-9-11(2)3)8-13(17-18)15(4,5)6/h8,11,16H,7,9-10H2,1-6H3
InChIKeyKOXAWHTVYSGAPV-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one (CID 82443565) is 6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one is CCn1nc(C(C)(C)C)cc(CNCC(C)C)c1=O.
What is the InChIKey of 6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
The InChIKey is KOXAWHTVYSGAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-7-18-14(19)12(10-16-9-11(2)3)8-13(17-18)15(4,5)6/h8,11,16H,7,9-10H2,1-6H3.
What are the key properties of 6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one has a molecular weight of 265.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one is sourced from PubChem (CID 82443565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).