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

C8H12BrN3O2 — CID 115576956

IUPAC5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one
SMILESCOCC(C)Nc1cn[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-5(4-14-2)11-6-3-10-12-8(13)7(6)9/h3,5H,4H2,1-2H3,(H2,11,12,13)
InChIKeySRMQCJSYSNVAPE-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.98
Rot. Bonds4

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

5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one (PubChem CID 115576956) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one
PubChem CID115576956
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one
SMILESCOCC(C)Nc1cn[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-5(4-14-2)11-6-3-10-12-8(13)7(6)9/h3,5H,4H2,1-2H3,(H2,11,12,13)
InChIKeySRMQCJSYSNVAPE-UHFFFAOYSA-N
XLogP0.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one
CID 115577041
5-bromo-4-(4-ethylsulfanylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114386315
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-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one
CID 114385970
2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide
CID 115577016
methyl 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]acetate
CID 114385913
5-bromo-4-(hex-1-yn-3-ylamino)-1H-pyridazin-6-one
CID 106231600
5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 79033864
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one (CID 115576956) is 5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one is COCC(C)Nc1cn[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one?
The InChIKey is SRMQCJSYSNVAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-5(4-14-2)11-6-3-10-12-8(13)7(6)9/h3,5H,4H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one?
5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one has a molecular weight of 262.11 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 115576956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).