2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide

C17H12FN5O2 — CID 6417049

IUPAC2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCOc1ccc2[nH]c3nc(NC(=O)c4ccccc4F)nnc3c2c1
InChIInChI=1S/C17H12FN5O2/c1-25-9-6-7-13-11(8-9)14-15(19-13)20-17(23-22-14)21-16(24)10-4-2-3-5-12(10)18/h2-8H,1H3,(H2,19,20,21,23,24)
InChIKeyNCUCVPLVKIIHPQ-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.91
Rot. Bonds3

About 2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide

2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (PubChem CID 6417049) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
PubChem CID6417049
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCOc1ccc2[nH]c3nc(NC(=O)c4ccccc4F)nnc3c2c1
InChIInChI=1S/C17H12FN5O2/c1-25-9-6-7-13-11(8-9)14-15(19-13)20-17(23-22-14)21-16(24)10-4-2-3-5-12(10)18/h2-8H,1H3,(H2,19,20,21,23,24)
InChIKeyNCUCVPLVKIIHPQ-UHFFFAOYSA-N
XLogP2.91
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417050
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416835
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide
CID 114052810
3-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-5H-[1,2,4]triazino[5,6-b]indole
CID 6401567
N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6794363
2-[(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 44753346
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113204904
2-fluoro-N-[4-[3-(4-methoxyphenyl)-2-oxopropyl]phenyl]benzamide
CID 58422785
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The IUPAC name of 2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (CID 6417049) is 2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is COc1ccc2[nH]c3nc(NC(=O)c4ccccc4F)nnc3c2c1.
What is the InChIKey of 2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The InChIKey is NCUCVPLVKIIHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-25-9-6-7-13-11(8-9)14-15(19-13)20-17(23-22-14)21-16(24)10-4-2-3-5-12(10)18/h2-8H,1H3,(H2,19,20,21,23,24).
What are the key properties of 2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide has a molecular weight of 337.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is sourced from PubChem (CID 6417049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).