5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one

C14H21N3O2 — CID 103220539

IUPAC5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1CCC(Cn2ncc(NC3CCC3)cc2=O)O1
InChIInChI=1S/C14H21N3O2/c1-10-5-6-13(19-10)9-17-14(18)7-12(8-15-17)16-11-3-2-4-11/h7-8,10-11,13,16H,2-6,9H2,1H3
InChIKeyRUCIRXBJYCXCDB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.78
Rot. Bonds4

About 5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one

5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one (PubChem CID 103220539) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
PubChem CID103220539
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1CCC(Cn2ncc(NC3CCC3)cc2=O)O1
InChIInChI=1S/C14H21N3O2/c1-10-5-6-13(19-10)9-17-14(18)7-12(8-15-17)16-11-3-2-4-11/h7-8,10-11,13,16H,2-6,9H2,1H3
InChIKeyRUCIRXBJYCXCDB-UHFFFAOYSA-N
XLogP1.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one (CID 103220539) is 5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one is CC1CCC(Cn2ncc(NC3CCC3)cc2=O)O1.
What is the InChIKey of 5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The InChIKey is RUCIRXBJYCXCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-5-6-13(19-10)9-17-14(18)7-12(8-15-17)16-11-3-2-4-11/h7-8,10-11,13,16H,2-6,9H2,1H3.
What are the key properties of 5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103220539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).