4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one

C15H26ClN3O — CID 114438260

IUPAC4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)CCC(C)Nc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-10(2)6-7-12(5)18-13-8-17-19(9-11(3)4)15(20)14(13)16/h8,10-12,18H,6-7,9H2,1-5H3
InChIKeyKKZMVRIOABXQQZ-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.79
Rot. Bonds7

About 4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114438260) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114438260
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)CCC(C)Nc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-10(2)6-7-12(5)18-13-8-17-19(9-11(3)4)15(20)14(13)16/h8,10-12,18H,6-7,9H2,1-5H3
InChIKeyKKZMVRIOABXQQZ-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114435408
4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114435007
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-[(2,5-dimethylpyrrol-1-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439918
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002
4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one
CID 114433216
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 114438260) is 4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one is CC(C)CCC(C)Nc1cnn(CC(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is KKZMVRIOABXQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-10(2)6-7-12(5)18-13-8-17-19(9-11(3)4)15(20)14(13)16/h8,10-12,18H,6-7,9H2,1-5H3.
What are the key properties of 4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 299.85 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114438260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).