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

C24H19N5O2 — CID 6417136

IUPACN-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCOc1ccc2c(c1)c1nnc(NC(=O)c3ccccc3)nc1n2Cc1ccccc1
InChIInChI=1S/C24H19N5O2/c1-31-18-12-13-20-19(14-18)21-22(29(20)15-16-8-4-2-5-9-16)25-24(28-27-21)26-23(30)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,25,26,28,30)
InChIKeyLBZCWBQADXPLHF-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.29
Rot. Bonds5

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

N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (PubChem CID 6417136) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
PubChem CID6417136
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC NameN-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCOc1ccc2c(c1)c1nnc(NC(=O)c3ccccc3)nc1n2Cc1ccccc1
InChIInChI=1S/C24H19N5O2/c1-31-18-12-13-20-19(14-18)21-22(29(20)15-16-8-4-2-5-9-16)25-24(28-27-21)26-23(30)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,25,26,28,30)
InChIKeyLBZCWBQADXPLHF-UHFFFAOYSA-N
XLogP4.29
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide
CID 6417013
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide
CID 6416789
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide
CID 6417161
3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036
2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416813
1-(3-methoxyphenyl)-2-[[5-[(3-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]ethanone
CID 42805988
9-benzyl-6-methoxy-3-methylpyrimido[4,5-b]indol-4-one
CID 23857129
6-ethyl-9-methoxyindolo[3,2-b]quinoxaline
CID 945804
4-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-N-phenylbenzamide
CID 18830236
4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416781

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The IUPAC name of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (CID 6417136) is N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.
What is the SMILES notation for N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The canonical SMILES for N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is COc1ccc2c(c1)c1nnc(NC(=O)c3ccccc3)nc1n2Cc1ccccc1.
What is the InChIKey of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The InChIKey is LBZCWBQADXPLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-31-18-12-13-20-19(14-18)21-22(29(20)15-16-8-4-2-5-9-16)25-24(28-27-21)26-23(30)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,25,26,28,30).
What are the key properties of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide has a molecular weight of 409.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is sourced from PubChem (CID 6417136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).