2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one

C16H29N3O — CID 82443306

IUPAC2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
SMILESCCCCn1nc(C(C)C)cc(CNCC(C)C)c1=O
InChIInChI=1S/C16H29N3O/c1-6-7-8-19-16(20)14(11-17-10-12(2)3)9-15(18-19)13(4)5/h9,12-13,17H,6-8,10-11H2,1-5H3
InChIKeyDNJZPJOKSQVIDZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.91
Rot. Bonds8

About 2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one

2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one (PubChem CID 82443306) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
PubChem CID82443306
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
SMILESCCCCn1nc(C(C)C)cc(CNCC(C)C)c1=O
InChIInChI=1S/C16H29N3O/c1-6-7-8-19-16(20)14(11-17-10-12(2)3)9-15(18-19)13(4)5/h9,12-13,17H,6-8,10-11H2,1-5H3
InChIKeyDNJZPJOKSQVIDZ-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one
CID 82443259
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309
2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443125
2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
CID 82442924
2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one
CID 82443197
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
CID 82446587
6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82443565
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82442863
2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one
CID 82442927
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82443653

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one (CID 82443306) is 2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one is CCCCn1nc(C(C)C)cc(CNCC(C)C)c1=O.
What is the InChIKey of 2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one?
The InChIKey is DNJZPJOKSQVIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-7-8-19-16(20)14(11-17-10-12(2)3)9-15(18-19)13(4)5/h9,12-13,17H,6-8,10-11H2,1-5H3.
What are the key properties of 2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one?
2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one has a molecular weight of 279.43 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 82443306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).