5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one

C9H14BrN3O — CID 115577041

IUPAC5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one
SMILESCCCC(C)Nc1cn[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-3-4-6(2)12-7-5-11-13-9(14)8(7)10/h5-6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyYRKULZYYAWCRLU-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.13
Rot. Bonds4

About 5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one

5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one (PubChem CID 115577041) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one
PubChem CID115577041
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one
SMILESCCCC(C)Nc1cn[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-3-4-6(2)12-7-5-11-13-9(14)8(7)10/h5-6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyYRKULZYYAWCRLU-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(4-ethylsulfanylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114386315
5-bromo-4-(hex-1-yn-3-ylamino)-1H-pyridazin-6-one
CID 106231600
5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one
CID 115576956
2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide
CID 115577016
5-bromo-4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114386278
5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one
CID 114386132
2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-3-methylbutanamide
CID 106346090
5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one
CID 114386015
5-chloro-4-(4-hydroxybutan-2-ylamino)-1H-pyridazin-6-one
CID 79003426
5-bromo-4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyridazin-6-one
CID 114386142
5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one
CID 115576984
4-bromo-5-(pentan-2-ylamino)-2-prop-2-ynylpyridazin-3-one
CID 114431978

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one (CID 115577041) is 5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one is CCCC(C)Nc1cn[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one?
The InChIKey is YRKULZYYAWCRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-3-4-6(2)12-7-5-11-13-9(14)8(7)10/h5-6H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one?
5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one has a molecular weight of 260.13 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 115577041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).