4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one

C10H16BrN3O2 — CID 115644216

IUPAC4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one
SMILESCCC(CCO)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-7(4-5-15)13-8-6-12-14(2)10(16)9(8)11/h6-7,13,15H,3-5H2,1-2H3
InChIKeySSDRCNQHSNQXPC-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.12
Rot. Bonds5

About 4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one

4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one (PubChem CID 115644216) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one
PubChem CID115644216
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one
SMILESCCC(CCO)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-7(4-5-15)13-8-6-12-14(2)10(16)9(8)11/h6-7,13,15H,3-5H2,1-2H3
InChIKeySSDRCNQHSNQXPC-UHFFFAOYSA-N
XLogP1.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
CID 114436919
4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one
CID 114442887
4-bromo-2-methyl-5-(pent-4-yn-2-ylamino)pyridazin-3-one
CID 115658848
2-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanoic acid
CID 169493711
4-bromo-5-[3-(hydroxymethyl)pentan-3-ylamino]-2-methylpyridazin-3-one
CID 115681121
4-bromo-2-[2-(dimethylamino)ethyl]-5-(pentan-3-ylamino)pyridazin-3-one
CID 114431621
4-bromo-2-(2-hydroxyethyl)-5-(pent-1-yn-3-ylamino)pyridazin-3-one
CID 106231161
4-bromo-5-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133445144
4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one
CID 113239418
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 115681189

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one (CID 115644216) is 4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one is CCC(CCO)Nc1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one?
The InChIKey is SSDRCNQHSNQXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-3-7(4-5-15)13-8-6-12-14(2)10(16)9(8)11/h6-7,13,15H,3-5H2,1-2H3.
What are the key properties of 4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one?
4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one has a molecular weight of 290.16 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 115644216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).