5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one

C14H16ClN3O2 — CID 5252513

IUPAC5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(N(CCO)Cc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-17-14(20)13(15)12(9-16-17)18(7-8-19)10-11-5-3-2-4-6-11/h2-6,9,19H,7-8,10H2,1H3
InChIKeyZNYGCBJFGIGLGA-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.43
Rot. Bonds5

About 5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one

5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one (PubChem CID 5252513) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one
PubChem CID5252513
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(N(CCO)Cc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-17-14(20)13(15)12(9-16-17)18(7-8-19)10-11-5-3-2-4-6-11/h2-6,9,19H,7-8,10H2,1H3
InChIKeyZNYGCBJFGIGLGA-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one (CID 5252513) is 5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one is Cn1ncc(N(CCO)Cc2ccccc2)c(Cl)c1=O.
What is the InChIKey of 5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is ZNYGCBJFGIGLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-17-14(20)13(15)12(9-16-17)18(7-8-19)10-11-5-3-2-4-6-11/h2-6,9,19H,7-8,10H2,1H3.
What are the key properties of 5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one?
5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 293.75 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(2-hydroxyethyl)amino]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 5252513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).