methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate

C19H14FN3O3 — CID 167523991

IUPACmethyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
SMILESCOC(=O)Cn1nc(-c2ccccc2)n2c(cc3ccc(F)cc32)c1=O
InChIInChI=1S/C19H14FN3O3/c1-26-17(24)11-22-19(25)16-9-13-7-8-14(20)10-15(13)23(16)18(21-22)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyCPKFVZDAYWXRHL-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.63
Rot. Bonds3

About methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate

methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate (PubChem CID 167523991) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
PubChem CID167523991
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Namemethyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
SMILESCOC(=O)Cn1nc(-c2ccccc2)n2c(cc3ccc(F)cc32)c1=O
InChIInChI=1S/C19H14FN3O3/c1-26-17(24)11-22-19(25)16-9-13-7-8-14(20)10-15(13)23(16)18(21-22)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyCPKFVZDAYWXRHL-UHFFFAOYSA-N
XLogP2.63
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
CID 163846216
methyl 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetate
CID 43839948
methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 162432199
2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-phenylethyl)acetamide
CID 20884963
ethyl 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
CID 168797397
2-[4-(dimethylamino)-7-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 168797392
methyl 2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetate
CID 126469240
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 20885004
2-[4-(1,1-difluoroethyl)-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl]acetic acid
CID 168797349
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20885008
methyl 3-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)propanoate
CID 67578158
N-[(4-fluorophenyl)methyl]-2-[7-(methoxymethyl)-3-oxo-5-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 95920407

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate?
The IUPAC name of methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate (CID 167523991) is methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate.
What is the SMILES notation for methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate?
The canonical SMILES for methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate is COC(=O)Cn1nc(-c2ccccc2)n2c(cc3ccc(F)cc32)c1=O.
What is the InChIKey of methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate?
The InChIKey is CPKFVZDAYWXRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c1-26-17(24)11-22-19(25)16-9-13-7-8-14(20)10-15(13)23(16)18(21-22)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate?
methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate has a molecular weight of 351.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate is sourced from PubChem (CID 167523991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).