5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one

C14H21N3O2 — CID 103220645

IUPAC5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CC1CCOCC1
InChIInChI=1S/C14H21N3O2/c18-14-8-13(16-12-2-1-3-12)9-15-17(14)10-11-4-6-19-7-5-11/h8-9,11-12,16H,1-7,10H2
InChIKeyLPCAWNKEXFCLMS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.63
Rot. Bonds4

About 5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one

5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 103220645) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID103220645
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CC1CCOCC1
InChIInChI=1S/C14H21N3O2/c18-14-8-13(16-12-2-1-3-12)9-15-17(14)10-11-4-6-19-7-5-11/h8-9,11-12,16H,1-7,10H2
InChIKeyLPCAWNKEXFCLMS-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218363
5-(Methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218678
5-(Ethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103219120
2-(Oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220295
5-(Cyclobutylamino)-2-(4-methoxybutyl)pyridazin-3-one
CID 103220446
5-(Cyclobutylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
CID 103220691
5-(2-Aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103221223
2-(4-Methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one
CID 103221492
5-(2-Methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103221648
5-(Cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103221933
5-[2-Aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103223471
5-[2-(Methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103223683

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 103220645) is 5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one is O=c1cc(NC2CCC2)cnn1CC1CCOCC1.
What is the InChIKey of 5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is LPCAWNKEXFCLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14-8-13(16-12-2-1-3-12)9-15-17(14)10-11-4-6-19-7-5-11/h8-9,11-12,16H,1-7,10H2.
What are the key properties of 5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103220645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).