4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one

C10H12N6O — CID 168656926

IUPAC4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CN=[N+]=[N-])CC2=O)nn1
InChIInChI=1S/C10H12N6O/c1-7-2-3-9(14-13-7)16-6-8(4-10(16)17)5-12-15-11/h2-3,8H,4-6H2,1H3
InChIKeyMXXJFDWUZDTVCN-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.45
Rot. Bonds3

About 4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one

4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one (PubChem CID 168656926) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
PubChem CID168656926
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CN=[N+]=[N-])CC2=O)nn1
InChIInChI=1S/C10H12N6O/c1-7-2-3-9(14-13-7)16-6-8(4-10(16)17)5-12-15-11/h2-3,8H,4-6H2,1H3
InChIKeyMXXJFDWUZDTVCN-UHFFFAOYSA-N
XLogP1.45
TPSA94.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(azidomethyl)-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one
CID 168657877
1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656814
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168656711
[1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673487
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
4-(azidomethyl)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168656638
4-(azidomethyl)-1-[5-bromo-6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168657860
6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
CID 168658371
4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one
CID 168657014
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656987

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one (CID 168656926) is 4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one is Cc1ccc(N2CC(CN=[N+]=[N-])CC2=O)nn1.
What is the InChIKey of 4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one?
The InChIKey is MXXJFDWUZDTVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-7-2-3-9(14-13-7)16-6-8(4-10(16)17)5-12-15-11/h2-3,8H,4-6H2,1H3.
What are the key properties of 4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one?
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one has a molecular weight of 232.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168656926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).