4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one

C9H14ClN3O3 — CID 14302809

IUPAC4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCC(O)CO)c(Cl)c1=O
InChIInChI=1S/C9H14ClN3O3/c1-2-13-9(16)8(10)7(4-12-13)11-3-6(15)5-14/h4,6,11,14-15H,2-3,5H2,1H3
InChIKeyNHGXUJGLIMYTCQ-UHFFFAOYSA-N
MW247.68 g/mol
LogP-0.32
Rot. Bonds5

About 4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one

4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one (PubChem CID 14302809) has the molecular formula C9H14ClN3O3 and a molecular weight of 247.68 g/mol. Its IUPAC name is 4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one
PubChem CID14302809
Molecular FormulaC9H14ClN3O3
Molecular Weight247.68 g/mol
Exact Mass247.07
IUPAC Name4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCC(O)CO)c(Cl)c1=O
InChIInChI=1S/C9H14ClN3O3/c1-2-13-9(16)8(10)7(4-12-13)11-3-6(15)5-14/h4,6,11,14-15H,2-3,5H2,1H3
InChIKeyNHGXUJGLIMYTCQ-UHFFFAOYSA-N
XLogP-0.32
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one (CID 14302809) is 4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one is CCn1ncc(NCC(O)CO)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one?
The InChIKey is NHGXUJGLIMYTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3/c1-2-13-9(16)8(10)7(4-12-13)11-3-6(15)5-14/h4,6,11,14-15H,2-3,5H2,1H3.
What are the key properties of 4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one?
4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one has a molecular weight of 247.68 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one is sourced from PubChem (CID 14302809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).