6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one

C12H9ClN4O — CID 135590592

IUPAC6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one
SMILESCc1nn2cc(-c3ccc(Cl)cc3)nc2[nH]c1=O
InChIInChI=1S/C12H9ClN4O/c1-7-11(18)15-12-14-10(6-17(12)16-7)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,15,18)
InChIKeyVEOMJAFNPPFRDH-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.05
Rot. Bonds1

About 6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one

6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one (PubChem CID 135590592) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one
PubChem CID135590592
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one
SMILESCc1nn2cc(-c3ccc(Cl)cc3)nc2[nH]c1=O
InChIInChI=1S/C12H9ClN4O/c1-7-11(18)15-12-14-10(6-17(12)16-7)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,15,18)
InChIKeyVEOMJAFNPPFRDH-UHFFFAOYSA-N
XLogP2.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135455471
3-(4-chlorophenyl)-6-methyl-4H-1,2,4-triazin-5-one
CID 135472873
6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine
CID 15749998
3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid
CID 135420354
2-(4-chlorophenyl)-4-methyl-1H-triazol-5-one
CID 610581
6-(4-chlorophenyl)-2-(morpholin-4-ylmethylideneamino)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 139829550
5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 79442327
4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine
CID 11841184
2-(4-chlorophenyl)-6-ethoxyimidazo[1,2-b]pyridazine
CID 10659888
6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209415
6-(4-chlorophenyl)-8H-tetrazolo[1,5-b][1,2,4]triazin-7-one
CID 135515017
2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one (CID 135590592) is 6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one is Cc1nn2cc(-c3ccc(Cl)cc3)nc2[nH]c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
The InChIKey is VEOMJAFNPPFRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-7-11(18)15-12-14-10(6-17(12)16-7)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,15,18).
What are the key properties of 6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one has a molecular weight of 260.68 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one is sourced from PubChem (CID 135590592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).