2-(2-aminoethyl)-4-chloropyridazin-3-one

C6H8ClN3O — CID 84654777

IUPAC2-(2-aminoethyl)-4-chloropyridazin-3-one
SMILESNCCn1nccc(Cl)c1=O
InChIInChI=1S/C6H8ClN3O/c7-5-1-3-9-10(4-2-8)6(5)11/h1,3H,2,4,8H2
InChIKeyGDTFQDCKHDOFSY-UHFFFAOYSA-N
MW173.60 g/mol
LogP-0.14
Rot. Bonds2

About 2-(2-aminoethyl)-4-chloropyridazin-3-one

2-(2-aminoethyl)-4-chloropyridazin-3-one (PubChem CID 84654777) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloropyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloropyridazin-3-one
PubChem CID84654777
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name2-(2-aminoethyl)-4-chloropyridazin-3-one
SMILESNCCn1nccc(Cl)c1=O
InChIInChI=1S/C6H8ClN3O/c7-5-1-3-9-10(4-2-8)6(5)11/h1,3H,2,4,8H2
InChIKeyGDTFQDCKHDOFSY-UHFFFAOYSA-N
XLogP-0.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Aminoethyl)-2,3-dihydropyridazin-3-one
CID 10534729
2-(2-Aminoethyl)-4-chloro-5-fluoropyridazin-3-one
CID 150699899
2-(2-Aminoethyl)-4,5-dichloropyridazin-3-one
CID 59134316
4-Chloro-2-prop-2-enylpyridazin-3-one
CID 66750416
4-Chloro-2-ethylpyridazin-3-one
CID 151810717
4-Chloro-2-propan-2-ylpyridazin-3-one
CID 171746105
4-Chloro-2-propylpyridazin-3-one
CID 178099240
2-(2-Aminoethyl)-6-chloro-3(2H)-pyridazinone
CID 10773561
2-(3-Aminopropyl)-6-chloropyridazin-3-one
CID 10773947
2-[2-(Methylamino)ethyl]pyridazin-3-one
CID 62849066
2-[2-(Prop-2-enylamino)ethyl]pyridazin-3-one
CID 62850331
2-(2-Aminoethyl)-4-chloro-6-methylpyridazin-3-one
CID 84661189

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloropyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4-chloropyridazin-3-one (CID 84654777) is 2-(2-aminoethyl)-4-chloropyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloropyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4-chloropyridazin-3-one is NCCn1nccc(Cl)c1=O.
What is the InChIKey of 2-(2-aminoethyl)-4-chloropyridazin-3-one?
The InChIKey is GDTFQDCKHDOFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c7-5-1-3-9-10(4-2-8)6(5)11/h1,3H,2,4,8H2.
What are the key properties of 2-(2-aminoethyl)-4-chloropyridazin-3-one?
2-(2-aminoethyl)-4-chloropyridazin-3-one has a molecular weight of 173.60 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-chloropyridazin-3-one is sourced from PubChem (CID 84654777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).