6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one

C17H17N5O — CID 126927143

IUPAC6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1
InChIInChI=1S/C17H17N5O/c1-12-6-7-17(23)22(20-12)11-13-9-21(10-13)16-8-18-14-4-2-3-5-15(14)19-16/h2-8,13H,9-11H2,1H3
InChIKeyJWIPTEMOWLXZKV-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.63
Rot. Bonds3

About 6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one

6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one (PubChem CID 126927143) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
PubChem CID126927143
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1
InChIInChI=1S/C17H17N5O/c1-12-6-7-17(23)22(20-12)11-13-9-21(10-13)16-8-18-14-4-2-3-5-15(14)19-16/h2-8,13H,9-11H2,1H3
InChIKeyJWIPTEMOWLXZKV-UHFFFAOYSA-N
XLogP1.63
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930213
6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126926978
6-methyl-2-[[1-(2-methyl-4-pyridinyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926995
6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927356
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline
CID 163346437
2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927153
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179
2-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929341
6-methyl-2-[[1-(quinoline-6-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926956
2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
CID 114802420
6-cyclopropyl-2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927367

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one (CID 126927143) is 6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CN(c3cnc4ccccc4n3)C2)n1.
What is the InChIKey of 6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one?
The InChIKey is JWIPTEMOWLXZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-6-7-17(23)22(20-12)11-13-9-21(10-13)16-8-18-14-4-2-3-5-15(14)19-16/h2-8,13H,9-11H2,1H3.
What are the key properties of 6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one?
6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one has a molecular weight of 307.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126927143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).