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

C17H11ClFN5O — CID 6416763

IUPAC4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCn1c2ccc(F)cc2c2nnc(NC(=O)c3ccc(Cl)cc3)nc21
InChIInChI=1S/C17H11ClFN5O/c1-24-13-7-6-11(19)8-12(13)14-15(24)20-17(23-22-14)21-16(25)9-2-4-10(18)5-3-9/h2-8H,1H3,(H,20,21,23,25)
InChIKeyIUEDQCVBEWKNRU-UHFFFAOYSA-N
MW355.76 g/mol
LogP3.56
Rot. Bonds2

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

4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (PubChem CID 6416763) has the molecular formula C17H11ClFN5O and a molecular weight of 355.76 g/mol. Its IUPAC name is 4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
PubChem CID6416763
Molecular FormulaC17H11ClFN5O
Molecular Weight355.76 g/mol
Exact Mass355.06
IUPAC Name4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCn1c2ccc(F)cc2c2nnc(NC(=O)c3ccc(Cl)cc3)nc21
InChIInChI=1S/C17H11ClFN5O/c1-24-13-7-6-11(19)8-12(13)14-15(24)20-17(23-22-14)21-16(25)9-2-4-10(18)5-3-9/h2-8H,1H3,(H,20,21,23,25)
InChIKeyIUEDQCVBEWKNRU-UHFFFAOYSA-N
XLogP3.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide
CID 6417161
N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416985
4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416813
4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416781
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417136
4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417050
2-[(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 51687380
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzamide
CID 114386611
N-(2,5-difluorophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051524
3-[(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N,N-dimethylpropan-1-amine
CID 134595270
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (CID 6416763) is 4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is Cn1c2ccc(F)cc2c2nnc(NC(=O)c3ccc(Cl)cc3)nc21.
What is the InChIKey of 4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The InChIKey is IUEDQCVBEWKNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5O/c1-24-13-7-6-11(19)8-12(13)14-15(24)20-17(23-22-14)21-16(25)9-2-4-10(18)5-3-9/h2-8H,1H3,(H,20,21,23,25).
What are the key properties of 4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide has a molecular weight of 355.76 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is sourced from PubChem (CID 6416763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).