2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one

C11H13N3O — CID 167158196

IUPAC2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC2=CC3CCN23)c(=O)c1
InChIInChI=1S/C11H13N3O/c1-8-4-11(15)14(12-6-8)7-10-5-9-2-3-13(9)10/h4-6,9H,2-3,7H2,1H3
InChIKeyXEFCXZODDWEPOU-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.52
Rot. Bonds2

About 2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one

2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one (PubChem CID 167158196) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one
PubChem CID167158196
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC2=CC3CCN23)c(=O)c1
InChIInChI=1S/C11H13N3O/c1-8-4-11(15)14(12-6-8)7-10-5-9-2-3-13(9)10/h4-6,9H,2-3,7H2,1H3
InChIKeyXEFCXZODDWEPOU-UHFFFAOYSA-N
XLogP0.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-5-methylpyridazin-3-one
CID 131020040
5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106548394
2-(4-aminobutyl)-5-methylpyridazin-3-one
CID 106548370
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one
CID 106548736
2-(2,1,3-benzothiadiazol-5-ylmethyl)-5-methylpyridazin-3-one
CID 166320399
3-methyl-5-[(4-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 106548449
2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one
CID 106548658
2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
CID 106548563
2-[(4-methyl-6-oxopyridazin-1-yl)methyl]prop-2-enoic acid
CID 106548460
2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one
CID 22892828

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one (CID 167158196) is 2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one is Cc1cnn(CC2=CC3CCN23)c(=O)c1.
What is the InChIKey of 2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one?
The InChIKey is XEFCXZODDWEPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-4-11(15)14(12-6-8)7-10-5-9-2-3-13(9)10/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one?
2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one has a molecular weight of 203.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 167158196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).