methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide

C25H19N9O5 — CID 158152618

IUPACmethyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide
SMILESCOC(=O)c1nc(-c2ccccc2)n2nc[nH]c(=O)c12.NC(=O)c1nc(-c2ccccc2)n2nc[nH]c(=O)c12
InChIInChI=1S/C13H10N4O3.C12H9N5O2/c1-20-13(19)9-10-12(18)14-7-15-17(10)11(16-9)8-5-3-2-4-6-8;13-10(18)8-9-12(19)14-6-15-17(9)11(16-8)7-4-2-1-3-5-7/h2-7H,1H3,(H,14,15,18);1-6H,(H2,13,18)(H,14,15,19)
InChIKeyFVHLNHGVSFUJQV-UHFFFAOYSA-N
MW525.49 g/mol
LogP1.05
Rot. Bonds4

About methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide

methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 158152618) has the molecular formula C25H19N9O5 and a molecular weight of 525.49 g/mol. Its IUPAC name is methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Namemethyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide
PubChem CID158152618
Molecular FormulaC25H19N9O5
Molecular Weight525.49 g/mol
Exact Mass525.15
IUPAC Namemethyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide
SMILESCOC(=O)c1nc(-c2ccccc2)n2nc[nH]c(=O)c12.NC(=O)c1nc(-c2ccccc2)n2nc[nH]c(=O)c12
InChIInChI=1S/C13H10N4O3.C12H9N5O2/c1-20-13(19)9-10-12(18)14-7-15-17(10)11(16-9)8-5-3-2-4-6-8;13-10(18)8-9-12(19)14-6-15-17(9)11(16-8)7-4-2-1-3-5-7/h2-7H,1H3,(H,14,15,18);1-6H,(H2,13,18)(H,14,15,19)
InChIKeyFVHLNHGVSFUJQV-UHFFFAOYSA-N
XLogP1.05
TPSA195.49 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.49
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide with MolForge

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Related Compounds

methyl 6-amino-4-phenylpyridine-2-carboxylate
CID 133098299
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962
methyl 5-chloro-2-phenyl-1H-imidazole-4-carboxylate
CID 69111578
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate
CID 177237399
methyl 3-[6-carbamoyl-8-oxo-2-(4-phenylphenyl)-7H-purin-9-yl]benzoate
CID 130339985
methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate
CID 58870301
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837
ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
CID 142291792
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
dimethyl 5-phenylpyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate
CID 102458386
methyl 3-carbamoyl-5-methyltriazolo[1,5-a]pyrimidine-7-carboxylate;methyl 3-carbamoyl-7-methyltriazolo[1,5-a]pyrimidine-5-carboxylate
CID 157323534

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide (CID 158152618) is methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide is COC(=O)c1nc(-c2ccccc2)n2nc[nH]c(=O)c12.NC(=O)c1nc(-c2ccccc2)n2nc[nH]c(=O)c12.
What is the InChIKey of methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is FVHLNHGVSFUJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3.C12H9N5O2/c1-20-13(19)9-10-12(18)14-7-15-17(10)11(16-9)8-5-3-2-4-6-8;13-10(18)8-9-12(19)14-6-15-17(9)11(16-8)7-4-2-1-3-5-7/h2-7H,1H3,(H,14,15,18);1-6H,(H2,13,18)(H,14,15,19).
What are the key properties of methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide?
methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 525.49 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 158152618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).