4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one

C15H25N3O — CID 82443346

IUPAC4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
SMILESCC(C)Cn1nc(C(C)C)cc(CNC2CC2)c1=O
InChIInChI=1S/C15H25N3O/c1-10(2)9-18-15(19)12(8-16-13-5-6-13)7-14(17-18)11(3)4/h7,10-11,13,16H,5-6,8-9H2,1-4H3
InChIKeyGXLCKQQTTCIAQS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.27
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one

4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one (PubChem CID 82443346) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
PubChem CID82443346
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
SMILESCC(C)Cn1nc(C(C)C)cc(CNC2CC2)c1=O
InChIInChI=1S/C15H25N3O/c1-10(2)9-18-15(19)12(8-16-13-5-6-13)7-14(17-18)11(3)4/h7,10-11,13,16H,5-6,8-9H2,1-4H3
InChIKeyGXLCKQQTTCIAQS-UHFFFAOYSA-N
XLogP2.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443123
4-(bromomethyl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443355
6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82442860
6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one
CID 82523674
6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82442863
2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one
CID 82442927
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one
CID 82443259
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62490188
6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447368
3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one
CID 82525035
2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443306

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one (CID 82443346) is 4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one is CC(C)Cn1nc(C(C)C)cc(CNC2CC2)c1=O.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
The InChIKey is GXLCKQQTTCIAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)9-18-15(19)12(8-16-13-5-6-13)7-14(17-18)11(3)4/h7,10-11,13,16H,5-6,8-9H2,1-4H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one has a molecular weight of 263.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 82443346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).