2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one

C11H13N5O2 — CID 105062127

IUPAC2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(Cc2cc(NN)ccn2)n1
InChIInChI=1S/C11H13N5O2/c1-18-10-2-3-11(17)16(15-10)7-9-6-8(14-12)4-5-13-9/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyZYOYKTVCBMMLLO-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.02
Rot. Bonds4

About 2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one

2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one (PubChem CID 105062127) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one
PubChem CID105062127
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(Cc2cc(NN)ccn2)n1
InChIInChI=1S/C11H13N5O2/c1-18-10-2-3-11(17)16(15-10)7-9-6-8(14-12)4-5-13-9/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyZYOYKTVCBMMLLO-UHFFFAOYSA-N
XLogP-0.02
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one
CID 103054669
3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 79259568
3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide
CID 105062241
2-[(4-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79259843
2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one
CID 79251475
2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79260300
2-[[3-(aminomethyl)-2-fluorophenyl]methyl]-6-methoxypyridazin-3-one
CID 107113943
2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886082
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
5-fluoro-2-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 105061811
2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
[2-[(3-methoxypyrrolidin-1-yl)methyl]-4-pyridinyl]hydrazine
CID 103538732

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one (CID 105062127) is 2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(Cc2cc(NN)ccn2)n1.
What is the InChIKey of 2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one?
The InChIKey is ZYOYKTVCBMMLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-18-10-2-3-11(17)16(15-10)7-9-6-8(14-12)4-5-13-9/h2-6H,7,12H2,1H3,(H,13,14).
What are the key properties of 2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one?
2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one has a molecular weight of 247.26 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).