4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one

C10H14ClN3O2 — CID 82213969

IUPAC4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one
SMILESCC1CN(c2c(Cl)cn[nH]c2=O)CC(C)O1
InChIInChI=1S/C10H14ClN3O2/c1-6-4-14(5-7(2)16-6)9-8(11)3-12-13-10(9)15/h3,6-7H,4-5H2,1-2H3,(H,13,15)
InChIKeyAFDPWVYFRZNGCM-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.04
Rot. Bonds1

About 4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one

4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one (PubChem CID 82213969) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one
PubChem CID82213969
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one
SMILESCC1CN(c2c(Cl)cn[nH]c2=O)CC(C)O1
InChIInChI=1S/C10H14ClN3O2/c1-6-4-14(5-7(2)16-6)9-8(11)3-12-13-10(9)15/h3,6-7H,4-5H2,1-2H3,(H,13,15)
InChIKeyAFDPWVYFRZNGCM-UHFFFAOYSA-N
XLogP1.04
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one (CID 82213969) is 4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one is CC1CN(c2c(Cl)cn[nH]c2=O)CC(C)O1.
What is the InChIKey of 4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one?
The InChIKey is AFDPWVYFRZNGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-6-4-14(5-7(2)16-6)9-8(11)3-12-13-10(9)15/h3,6-7H,4-5H2,1-2H3,(H,13,15).
What are the key properties of 4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one?
4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 82213969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).