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

C17H12FN5O — CID 6417050

IUPAC4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCc1ccc2[nH]c3nc(NC(=O)c4ccc(F)cc4)nnc3c2c1
InChIInChI=1S/C17H12FN5O/c1-9-2-7-13-12(8-9)14-15(19-13)20-17(23-22-14)21-16(24)10-3-5-11(18)6-4-10/h2-8H,1H3,(H2,19,20,21,23,24)
InChIKeyMOHXUQKFGJKRNO-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.21
Rot. Bonds2

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

4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (PubChem CID 6417050) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
PubChem CID6417050
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCc1ccc2[nH]c3nc(NC(=O)c4ccc(F)cc4)nnc3c2c1
InChIInChI=1S/C17H12FN5O/c1-9-2-7-13-12(8-9)14-15(19-13)20-17(23-22-14)21-16(24)10-3-5-11(18)6-4-10/h2-8H,1H3,(H2,19,20,21,23,24)
InChIKeyMOHXUQKFGJKRNO-UHFFFAOYSA-N
XLogP3.21
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416896
3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416835
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 19577572
N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide
CID 6416838
N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6794363
3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide
CID 53367407
2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417049
8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 11485102
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide
CID 27046784
(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone
CID 82092209
2,6-dibromo-4-[(E)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135504322
N-[(Z)-(4-chlorophenyl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6410040

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (CID 6417050) is 4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is Cc1ccc2[nH]c3nc(NC(=O)c4ccc(F)cc4)nnc3c2c1.
What is the InChIKey of 4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The InChIKey is MOHXUQKFGJKRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c1-9-2-7-13-12(8-9)14-15(19-13)20-17(23-22-14)21-16(24)10-3-5-11(18)6-4-10/h2-8H,1H3,(H2,19,20,21,23,24).
What are the key properties of 4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide has a molecular weight of 321.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is sourced from PubChem (CID 6417050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).