4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one

C15H27N3O — CID 82443259

IUPAC4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one
SMILESCCCn1nc(C(C)C)cc(CNCC(C)C)c1=O
InChIInChI=1S/C15H27N3O/c1-6-7-18-15(19)13(10-16-9-11(2)3)8-14(17-18)12(4)5/h8,11-12,16H,6-7,9-10H2,1-5H3
InChIKeyNGAKDAFIWOHZAZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.52
Rot. Bonds7

About 4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one

4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one (PubChem CID 82443259) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one
PubChem CID82443259
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one
SMILESCCCn1nc(C(C)C)cc(CNCC(C)C)c1=O
InChIInChI=1S/C15H27N3O/c1-6-7-18-15(19)13(10-16-9-11(2)3)8-14(17-18)12(4)5/h8,11-12,16H,6-7,9-10H2,1-5H3
InChIKeyNGAKDAFIWOHZAZ-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443306
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443125
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
CID 82446587
2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one
CID 82443197
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309
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-(butylaminomethyl)-6-methylpyridazin-3-one
CID 82442924
N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66439923
2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687773

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one?
The IUPAC name of 4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one (CID 82443259) is 4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one.
What is the SMILES notation for 4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one?
The canonical SMILES for 4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one is CCCn1nc(C(C)C)cc(CNCC(C)C)c1=O.
What is the InChIKey of 4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one?
The InChIKey is NGAKDAFIWOHZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-7-18-15(19)13(10-16-9-11(2)3)8-14(17-18)12(4)5/h8,11-12,16H,6-7,9-10H2,1-5H3.
What are the key properties of 4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one?
4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one has a molecular weight of 265.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one is sourced from PubChem (CID 82443259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).