3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one

C18H23N3O — CID 82421425

IUPAC3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one
SMILESCc1cc(=O)c(CNC2CC2)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H23N3O/c1-12(2)14-4-8-16(9-5-14)21-13(3)10-18(22)17(20-21)11-19-15-6-7-15/h4-5,8-10,12,15,19H,6-7,11H2,1-3H3
InChIKeyLDRQZEUCSOBVDP-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.92
Rot. Bonds5

About 3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one

3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one (PubChem CID 82421425) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one
PubChem CID82421425
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one
SMILESCc1cc(=O)c(CNC2CC2)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H23N3O/c1-12(2)14-4-8-16(9-5-14)21-13(3)10-18(22)17(20-21)11-19-15-6-7-15/h4-5,8-10,12,15,19H,6-7,11H2,1-3H3
InChIKeyLDRQZEUCSOBVDP-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one
CID 82421276
2-[6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridazin-3-yl]acetic acid
CID 82421430
1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one
CID 82422160
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420484
1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82422165
6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one
CID 82421061
3-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 82419138
3-[(butan-2-ylamino)methyl]-1-(3-chlorophenyl)-6-methylpyridazin-4-one
CID 82419695
3-(aminomethyl)-1-(4-bromophenyl)-6-methylpyridazin-4-one
CID 82419304
3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 82421897
6-methyl-3-(sulfanylmethyl)-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
CID 82421471

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one (CID 82421425) is 3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one is Cc1cc(=O)c(CNC2CC2)nn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one?
The InChIKey is LDRQZEUCSOBVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(2)14-4-8-16(9-5-14)21-13(3)10-18(22)17(20-21)11-19-15-6-7-15/h4-5,8-10,12,15,19H,6-7,11H2,1-3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one?
3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one has a molecular weight of 297.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one is sourced from PubChem (CID 82421425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).