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

C14H22BrN3O — CID 107414035

IUPAC4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CCC(C)C2)c(Br)c1=O
InChIInChI=1S/C14H22BrN3O/c1-3-6-18-14(19)13(15)12(9-17-18)16-8-11-5-4-10(2)7-11/h9-11,16H,3-8H2,1-2H3
InChIKeyNYBOOPVUHAMYMB-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.26
Rot. Bonds5

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

4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one (PubChem CID 107414035) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one
PubChem CID107414035
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CCC(C)C2)c(Br)c1=O
InChIInChI=1S/C14H22BrN3O/c1-3-6-18-14(19)13(15)12(9-17-18)16-8-11-5-4-10(2)7-11/h9-11,16H,3-8H2,1-2H3
InChIKeyNYBOOPVUHAMYMB-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 106136679
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
4-bromo-5-[(4-methylcyclohexyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114437677
4-bromo-5-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114438212
4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114439333
4-bromo-2-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridazin-3-one
CID 114436218
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114439861
4-bromo-2-butyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446545
4-bromo-2-(2-hydroxyethyl)-5-[2-(4-methylcyclohexyl)ethylamino]pyridazin-3-one
CID 114438524
4-bromo-5-[(2-methylpiperidin-4-yl)amino]-2-propylpyridazin-3-one
CID 106996089
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one (CID 107414035) is 4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCC2CCC(C)C2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is NYBOOPVUHAMYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-3-6-18-14(19)13(15)12(9-17-18)16-8-11-5-4-10(2)7-11/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one?
4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 328.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 107414035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).