4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one

C15H24BrN3O2 — CID 114439333

IUPAC4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2(O)CCC(C)CC2)c(Br)c1=O
InChIInChI=1S/C15H24BrN3O2/c1-3-8-19-14(20)13(16)12(9-18-19)17-10-15(21)6-4-11(2)5-7-15/h9,11,17,21H,3-8,10H2,1-2H3
InChIKeyMNYDAFUUZNSERB-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.77
Rot. Bonds5

About 4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one

4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114439333) has the molecular formula C15H24BrN3O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
PubChem CID114439333
Molecular FormulaC15H24BrN3O2
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Name4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2(O)CCC(C)CC2)c(Br)c1=O
InChIInChI=1S/C15H24BrN3O2/c1-3-8-19-14(20)13(16)12(9-18-19)17-10-15(21)6-4-11(2)5-7-15/h9,11,17,21H,3-8,10H2,1-2H3
InChIKeyMNYDAFUUZNSERB-UHFFFAOYSA-N
XLogP2.77
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 114439301
4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 114439303
4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 107414035
4-bromo-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114439345
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
4-bromo-2-(2-hydroxyethyl)-5-[2-(4-methylcyclohexyl)ethylamino]pyridazin-3-one
CID 114438524
4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 106136679
N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 114442437
4-bromo-5-[(1-methylpyrazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114435162
4-bromo-5-[(3-ethylthiophen-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114440240
4-bromo-5-(3-methylbut-2-enylamino)-2-propylpyridazin-3-one
CID 114156177
4-bromo-5-(hex-5-ynylamino)-2-propylpyridazin-3-one
CID 106214519

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one (CID 114439333) is 4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCC2(O)CCC(C)CC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is MNYDAFUUZNSERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2/c1-3-8-19-14(20)13(16)12(9-18-19)17-10-15(21)6-4-11(2)5-7-15/h9,11,17,21H,3-8,10H2,1-2H3.
What are the key properties of 4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one?
4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 358.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114439333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).