4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride

C17H21ClN4O2 — CID 6410664

IUPAC4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCOCC1=O.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-13-11-15(14-5-3-2-4-6-14)19-20-17(13)18-7-8-21-9-10-23-12-16(21)22;/h2-6,11H,7-10,12H2,1H3,(H,18,20);1H
InChIKeyFTSBKGZERZLRDN-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.14
Rot. Bonds5

About 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride

4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride (PubChem CID 6410664) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride.

Molecular Properties

Compound Name4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride
PubChem CID6410664
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCOCC1=O.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-13-11-15(14-5-3-2-4-6-14)19-20-17(13)18-7-8-21-9-10-23-12-16(21)22;/h2-6,11H,7-10,12H2,1H3,(H,18,20);1H
InChIKeyFTSBKGZERZLRDN-UHFFFAOYSA-N
XLogP2.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride?
The IUPAC name of 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride (CID 6410664) is 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride.
What is the SMILES notation for 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride?
The canonical SMILES for 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride is Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1=O.Cl.
What is the InChIKey of 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride?
The InChIKey is FTSBKGZERZLRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.ClH/c1-13-11-15(14-5-3-2-4-6-14)19-20-17(13)18-7-8-21-9-10-23-12-16(21)22;/h2-6,11H,7-10,12H2,1H3,(H,18,20);1H.
What are the key properties of 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride?
4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one;hydrochloride is sourced from PubChem (CID 6410664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).