4-(benzylamino)-1H-pyridazin-6-one

C11H11N3O — CID 150739515

IUPAC4-(benzylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCc2ccccc2)cn[nH]1
InChIInChI=1S/C11H11N3O/c15-11-6-10(8-13-14-11)12-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,12,14,15)
InChIKeyJTNSYFBQWULTKH-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.38
Rot. Bonds3

About 4-(benzylamino)-1H-pyridazin-6-one

4-(benzylamino)-1H-pyridazin-6-one (PubChem CID 150739515) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(benzylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(benzylamino)-1H-pyridazin-6-one
PubChem CID150739515
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-(benzylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCc2ccccc2)cn[nH]1
InChIInChI=1S/C11H11N3O/c15-11-6-10(8-13-14-11)12-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,12,14,15)
InChIKeyJTNSYFBQWULTKH-UHFFFAOYSA-N
XLogP1.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one
CID 114391879
4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one
CID 114392212
5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one
CID 154976770
N-benzyl-5-chloropyridin-3-amine
CID 146273772
3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 114391962
CID 163931246
CID 163931246
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1H-pyridazin-6-one
CID 106249129
4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one
CID 114392313
4-(2-ethoxyethylamino)-1H-pyridazin-6-one
CID 114391849
4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one
CID 114392466
5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109231849

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(benzylamino)-1H-pyridazin-6-one (CID 150739515) is 4-(benzylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(benzylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(benzylamino)-1H-pyridazin-6-one is O=c1cc(NCc2ccccc2)cn[nH]1.
What is the InChIKey of 4-(benzylamino)-1H-pyridazin-6-one?
The InChIKey is JTNSYFBQWULTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-11-6-10(8-13-14-11)12-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,12,14,15).
What are the key properties of 4-(benzylamino)-1H-pyridazin-6-one?
4-(benzylamino)-1H-pyridazin-6-one has a molecular weight of 201.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 150739515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).