5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one

C14H25BrN4O — CID 114446860

IUPAC5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one
SMILESCC(C)CC(C)(CN)Nc1cnn(C(C)C)c(=O)c1Br
InChIInChI=1S/C14H25BrN4O/c1-9(2)6-14(5,8-16)18-11-7-17-19(10(3)4)13(20)12(11)15/h7,9-10,18H,6,8,16H2,1-5H3
InChIKeyINRFAXIZNGUBIO-UHFFFAOYSA-N
MW345.29 g/mol
LogP2.76
Rot. Bonds6

About 5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one

5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one (PubChem CID 114446860) has the molecular formula C14H25BrN4O and a molecular weight of 345.29 g/mol. Its IUPAC name is 5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one
PubChem CID114446860
Molecular FormulaC14H25BrN4O
Molecular Weight345.29 g/mol
Exact Mass344.12
IUPAC Name5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one
SMILESCC(C)CC(C)(CN)Nc1cnn(C(C)C)c(=O)c1Br
InChIInChI=1S/C14H25BrN4O/c1-9(2)6-14(5,8-16)18-11-7-17-19(10(3)4)13(20)12(11)15/h7,9-10,18H,6,8,16H2,1-5H3
InChIKeyINRFAXIZNGUBIO-UHFFFAOYSA-N
XLogP2.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one with MolForge

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Related Compounds

5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-methylpyridazin-3-one
CID 114446862
4-bromo-5-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-ylpyridazin-3-one
CID 106177809
4-bromo-5-(2,2-dimethylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114434796
5-(3-aminopropylamino)-4-bromo-2-propan-2-ylpyridazin-3-one
CID 114444481
4-bromo-2-propan-2-yl-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436905
4-bromo-5-[(2-ethyl-2-hydroxybutyl)amino]-2-propan-2-ylpyridazin-3-one
CID 114439279
4-bromo-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106177976
N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 114438205
4-bromo-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 106048170
4-bromo-2-propan-2-yl-5-(5,5,5-trifluoropentylamino)pyridazin-3-one
CID 114440849
4-bromo-5-(4-methoxybutylamino)-2-propan-2-ylpyridazin-3-one
CID 114436294
4-bromo-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-propan-2-ylpyridazin-3-one
CID 114435008

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one (CID 114446860) is 5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one is CC(C)CC(C)(CN)Nc1cnn(C(C)C)c(=O)c1Br.
What is the InChIKey of 5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one?
The InChIKey is INRFAXIZNGUBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4O/c1-9(2)6-14(5,8-16)18-11-7-17-19(10(3)4)13(20)12(11)15/h7,9-10,18H,6,8,16H2,1-5H3.
What are the key properties of 5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one?
5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one has a molecular weight of 345.29 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 114446860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).