4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one

C14H17BrN4O — CID 114431069

IUPAC4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one
SMILESCC(C)n1ncc(NCCc2ccccn2)c(Br)c1=O
InChIInChI=1S/C14H17BrN4O/c1-10(2)19-14(20)13(15)12(9-18-19)17-8-6-11-5-3-4-7-16-11/h3-5,7,9-10,17H,6,8H2,1-2H3
InChIKeyFIMYNTYNTKBGDH-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.64
Rot. Bonds5

About 4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one

4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one (PubChem CID 114431069) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one
PubChem CID114431069
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one
SMILESCC(C)n1ncc(NCCc2ccccn2)c(Br)c1=O
InChIInChI=1S/C14H17BrN4O/c1-10(2)19-14(20)13(15)12(9-18-19)17-8-6-11-5-3-4-7-16-11/h3-5,7,9-10,17H,6,8H2,1-2H3
InChIKeyFIMYNTYNTKBGDH-UHFFFAOYSA-N
XLogP2.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-aminopropylamino)-4-bromo-2-propan-2-ylpyridazin-3-one
CID 114444481
4-bromo-5-(2,2-dimethylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114434796
4-bromo-5-(4-methoxybutylamino)-2-propan-2-ylpyridazin-3-one
CID 114436294
4-bromo-5-[(4-chlorophenyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114431125
4-bromo-5-(3-morpholin-4-ylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114432947
N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 114438205
4-bromo-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114435063
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
1-(1-methoxypropan-2-yl)-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554399
2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
CID 54952691
4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one
CID 114436028

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one (CID 114431069) is 4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one is CC(C)n1ncc(NCCc2ccccn2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
The InChIKey is FIMYNTYNTKBGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-10(2)19-14(20)13(15)12(9-18-19)17-8-6-11-5-3-4-7-16-11/h3-5,7,9-10,17H,6,8H2,1-2H3.
What are the key properties of 4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one has a molecular weight of 337.22 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propan-2-yl-5-(2-pyridin-2-ylethylamino)pyridazin-3-one is sourced from PubChem (CID 114431069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).