5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one

C11H17ClN4O2 — CID 113233659

IUPAC5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
SMILESCCN1CCOC(CNc2cn[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H17ClN4O2/c1-2-16-3-4-18-8(7-16)5-13-9-6-14-15-11(17)10(9)12/h6,8H,2-5,7H2,1H3,(H2,13,15,17)
InChIKeyGBMFJUDXROKJCI-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.56
Rot. Bonds4

About 5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one

5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one (PubChem CID 113233659) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
PubChem CID113233659
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
SMILESCCN1CCOC(CNc2cn[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H17ClN4O2/c1-2-16-3-4-18-8(7-16)5-13-9-6-14-15-11(17)10(9)12/h6,8H,2-5,7H2,1H3,(H2,13,15,17)
InChIKeyGBMFJUDXROKJCI-UHFFFAOYSA-N
XLogP0.56
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
CID 78952462
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline
CID 79164835
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235
4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid
CID 114401232
5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136958124
4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 114401493
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164415
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine
CID 114400988

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one (CID 113233659) is 5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one is CCN1CCOC(CNc2cn[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one?
The InChIKey is GBMFJUDXROKJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-2-16-3-4-18-8(7-16)5-13-9-6-14-15-11(17)10(9)12/h6,8H,2-5,7H2,1H3,(H2,13,15,17).
What are the key properties of 5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one has a molecular weight of 272.74 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 113233659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).