2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one

C8H12ClN3O — CID 84670363

IUPAC2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one
SMILESCCc1cc(Cl)c(=O)n(CCN)n1
InChIInChI=1S/C8H12ClN3O/c1-2-6-5-7(9)8(13)12(11-6)4-3-10/h5H,2-4,10H2,1H3
InChIKeyUKHBIQNOWWHEFC-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.42
Rot. Bonds3

About 2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one

2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one (PubChem CID 84670363) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one
PubChem CID84670363
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one
SMILESCCc1cc(Cl)c(=O)n(CCN)n1
InChIInChI=1S/C8H12ClN3O/c1-2-6-5-7(9)8(13)12(11-6)4-3-10/h5H,2-4,10H2,1H3
InChIKeyUKHBIQNOWWHEFC-UHFFFAOYSA-N
XLogP0.42
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-6-methylpyridazin-3(2H)-one
CID 13103485
2-[2-(Ethylamino)ethyl]-6-methylpyridazin-3-one
CID 62923357
6-Methyl-2-[2-(methylamino)ethyl]pyridazin-3-one
CID 62923365
2-(2-Aminopropyl)-6-methylpyridazin-3-one
CID 62923552
6-Methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one
CID 62926362
2-(1-Aminopropan-2-yl)-6-methylpyridazin-3-one
CID 82167961
6-(1-Aminoethyl)-2-ethylpyridazin-3-one
CID 82442232
6-(1-Aminoethyl)-2-propylpyridazin-3-one
CID 82442312
2-(2-Aminoethyl)-6-ethylpyridazin-3-one
CID 84652763
2-(2-Aminoethyl)-4-chloro-6-methylpyridazin-3-one
CID 84661189
2-(2-Aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one
CID 84679996
2-(2-Aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one
CID 84681458

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one (CID 84670363) is 2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one is CCc1cc(Cl)c(=O)n(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one?
The InChIKey is UKHBIQNOWWHEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-2-6-5-7(9)8(13)12(11-6)4-3-10/h5H,2-4,10H2,1H3.
What are the key properties of 2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one?
2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one has a molecular weight of 201.66 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-chloro-6-ethylpyridazin-3-one is sourced from PubChem (CID 84670363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).