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

C18H14ClN5O2 — CID 6417161

IUPACN-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc3c4cc(Cl)ccc4n(C)c3n2)cc1
InChIInChI=1S/C18H14ClN5O2/c1-24-14-8-5-11(19)9-13(14)15-16(24)20-18(23-22-15)21-17(25)10-3-6-12(26-2)7-4-10/h3-9H,1-2H3,(H,20,21,23,25)
InChIKeyIJPHPQVVOVJMEG-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.43
Rot. Bonds3

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

N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide (PubChem CID 6417161) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide
PubChem CID6417161
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC NameN-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc3c4cc(Cl)ccc4n(C)c3n2)cc1
InChIInChI=1S/C18H14ClN5O2/c1-24-14-8-5-11(19)9-13(14)15-16(24)20-18(23-22-15)21-17(25)10-3-6-12(26-2)7-4-10/h3-9H,1-2H3,(H,20,21,23,25)
InChIKeyIJPHPQVVOVJMEG-UHFFFAOYSA-N
XLogP3.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416763
4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416781
4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416813
N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416985
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417136
3,4-dimethoxy-N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417003
3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416907
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide
CID 6417013
2-chloro-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)acetamide
CID 66489936
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide
CID 6416789
8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole
CID 649707
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide?
The IUPAC name of N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide (CID 6417161) is N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nnc3c4cc(Cl)ccc4n(C)c3n2)cc1.
What is the InChIKey of N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide?
The InChIKey is IJPHPQVVOVJMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c1-24-14-8-5-11(19)9-13(14)15-16(24)20-18(23-22-15)21-17(25)10-3-6-12(26-2)7-4-10/h3-9H,1-2H3,(H,20,21,23,25).
What are the key properties of N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide?
N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide has a molecular weight of 367.80 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 6417161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).