6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one

C18H16N6O — CID 167777764

IUPAC6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one
SMILESCN(Cc1cccc(=O)[nH]1)c1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C18H16N6O/c1-23(12-14-8-5-9-17(25)19-14)16-11-10-15-20-21-18(24(15)22-16)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,25)
InChIKeyMHGROUKPXQBOOS-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.12
Rot. Bonds4

About 6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one

6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one (PubChem CID 167777764) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one
PubChem CID167777764
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one
SMILESCN(Cc1cccc(=O)[nH]1)c1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C18H16N6O/c1-23(12-14-8-5-9-17(25)19-14)16-11-10-15-20-21-18(24(15)22-16)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,25)
InChIKeyMHGROUKPXQBOOS-UHFFFAOYSA-N
XLogP2.12
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133412957
N-(1-benzofuran-2-ylmethyl)-N-methyl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133492278
N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133356765
3-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-2-methylpropanenitrile
CID 166245965
3-(3-fluorophenyl)-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166304644
3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-2-methylpropanenitrile
CID 166245966
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 167748019
N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133304991
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133356610
N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 71685166
N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]methanesulfonamide
CID 42109897
4-[3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propyl]-1,4-benzoxazin-3-one
CID 133330686

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one (CID 167777764) is 6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one is CN(Cc1cccc(=O)[nH]1)c1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of 6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one?
The InChIKey is MHGROUKPXQBOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-23(12-14-8-5-9-17(25)19-14)16-11-10-15-20-21-18(24(15)22-16)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,25).
What are the key properties of 6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one?
6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one has a molecular weight of 332.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 167777764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).