2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one

C15H25N3O — CID 82442927

IUPAC2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one
SMILESCCCCn1nc(C)cc(CNC2CCCC2)c1=O
InChIInChI=1S/C15H25N3O/c1-3-4-9-18-15(19)13(10-12(2)17-18)11-16-14-7-5-6-8-14/h10,14,16H,3-9,11H2,1-2H3
InChIKeyMHPSMKNNXVBYTO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.38
Rot. Bonds6

About 2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one

2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one (PubChem CID 82442927) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one
PubChem CID82442927
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one
SMILESCCCCn1nc(C)cc(CNC2CCCC2)c1=O
InChIInChI=1S/C15H25N3O/c1-3-4-9-18-15(19)13(10-12(2)17-18)11-16-14-7-5-6-8-14/h10,14,16H,3-9,11H2,1-2H3
InChIKeyMHPSMKNNXVBYTO-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
CID 82442924
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443346
3-[(cyclopentylamino)methyl]-1-pentylpyridin-2-one
CID 82526710
4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443123
2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443306
2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82442981
1-butyl-5-chloro-3-methylpyrazole
CID 66021188
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one
CID 62925137
N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 66440340
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one (CID 82442927) is 2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one is CCCCn1nc(C)cc(CNC2CCCC2)c1=O.
What is the InChIKey of 2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one?
The InChIKey is MHPSMKNNXVBYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-4-9-18-15(19)13(10-12(2)17-18)11-16-14-7-5-6-8-14/h10,14,16H,3-9,11H2,1-2H3.
What are the key properties of 2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one?
2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one has a molecular weight of 263.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 82442927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).