4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one

C12H14BrN3O2 — CID 113235044

IUPAC4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
SMILESCc1ccc(C(C)Nc2cnn(C)c(=O)c2Br)o1
InChIInChI=1S/C12H14BrN3O2/c1-7-4-5-10(18-7)8(2)15-9-6-14-16(3)12(17)11(9)13/h4-6,8,15H,1-3H3
InChIKeyQVKGSONVMQEWGV-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.62
Rot. Bonds3

About 4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one

4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one (PubChem CID 113235044) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
PubChem CID113235044
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
SMILESCc1ccc(C(C)Nc2cnn(C)c(=O)c2Br)o1
InChIInChI=1S/C12H14BrN3O2/c1-7-4-5-10(18-7)8(2)15-9-6-14-16(3)12(17)11(9)13/h4-6,8,15H,1-3H3
InChIKeyQVKGSONVMQEWGV-UHFFFAOYSA-N
XLogP2.62
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-methyl-5-(1-thiophen-3-ylethylamino)pyridazin-3-one
CID 114437422
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969
4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 114434721
2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 114434723
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 115681189
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one
CID 133303054
4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
CID 114436919
4-bromo-2-methyl-5-(pent-4-yn-2-ylamino)pyridazin-3-one
CID 115658848
4-bromo-5-hydrazinyl-2-methylpyridazin-3-one
CID 114443868
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
CID 115577699
6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 114050661

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one (CID 113235044) is 4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one is Cc1ccc(C(C)Nc2cnn(C)c(=O)c2Br)o1.
What is the InChIKey of 4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
The InChIKey is QVKGSONVMQEWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-7-4-5-10(18-7)8(2)15-9-6-14-16(3)12(17)11(9)13/h4-6,8,15H,1-3H3.
What are the key properties of 4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one has a molecular weight of 312.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 113235044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).