5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one

C14H23BrN4O — CID 114443755

IUPAC5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(N(C)C2CCC(N)CC2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O/c1-3-8-19-14(20)13(15)12(9-17-19)18(2)11-6-4-10(16)5-7-11/h9-11H,3-8,16H2,1-2H3
InChIKeyOWHCFLOPJKLBSM-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.12
Rot. Bonds4

About 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one

5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one (PubChem CID 114443755) has the molecular formula C14H23BrN4O and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one
PubChem CID114443755
Molecular FormulaC14H23BrN4O
Molecular Weight343.27 g/mol
Exact Mass342.11
IUPAC Name5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(N(C)C2CCC(N)CC2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O/c1-3-8-19-14(20)13(15)12(9-17-19)18(2)11-6-4-10(16)5-7-11/h9-11H,3-8,16H2,1-2H3
InChIKeyOWHCFLOPJKLBSM-UHFFFAOYSA-N
XLogP2.12
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114443752
5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114446229
4-bromo-2-methyl-5-[methyl-(4-methylcyclohexyl)amino]pyridazin-3-one
CID 133302978
4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one
CID 114446386
4-bromo-2-(2-hydroxyethyl)-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444964
5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 107174264
5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
CID 114446601
4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
CID 114438460
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one
CID 114443644
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 114439706
4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 107414035

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one?
The IUPAC name of 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one (CID 114443755) is 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one?
The canonical SMILES for 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one is CCCn1ncc(N(C)C2CCC(N)CC2)c(Br)c1=O.
What is the InChIKey of 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one?
The InChIKey is OWHCFLOPJKLBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O/c1-3-8-19-14(20)13(15)12(9-17-19)18(2)11-6-4-10(16)5-7-11/h9-11H,3-8,16H2,1-2H3.
What are the key properties of 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one?
5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one has a molecular weight of 343.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one is sourced from PubChem (CID 114443755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).