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

C19H17N5O2 — CID 6416835

IUPAC3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2nnc3c(n2)[nH]c2ccc(C)cc23)c1
InChIInChI=1S/C19H17N5O2/c1-3-26-13-6-4-5-12(10-13)18(25)22-19-21-17-16(23-24-19)14-9-11(2)7-8-15(14)20-17/h4-10H,3H2,1-2H3,(H2,20,21,22,24,25)
InChIKeyFWQRUCULFPBGAQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.47
Rot. Bonds4

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

3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (PubChem CID 6416835) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
PubChem CID6416835
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2nnc3c(n2)[nH]c2ccc(C)cc23)c1
InChIInChI=1S/C19H17N5O2/c1-3-26-13-6-4-5-12(10-13)18(25)22-19-21-17-16(23-24-19)14-9-11(2)7-8-15(14)20-17/h4-10H,3H2,1-2H3,(H2,20,21,22,24,25)
InChIKeyFWQRUCULFPBGAQ-UHFFFAOYSA-N
XLogP3.47
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
N-(2-amino-4-methylphenyl)-3-ethoxybenzamide
CID 56773265
8-methyl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265698
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
N-(2-ethoxyphenyl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 43813205
methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate
CID 946980
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
CID 91023998
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127
N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide
CID 60527818

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The IUPAC name of 3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (CID 6416835) is 3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The canonical SMILES for 3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is CCOc1cccc(C(=O)Nc2nnc3c(n2)[nH]c2ccc(C)cc23)c1.
What is the InChIKey of 3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The InChIKey is FWQRUCULFPBGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-3-26-13-6-4-5-12(10-13)18(25)22-19-21-17-16(23-24-19)14-9-11(2)7-8-15(14)20-17/h4-10H,3H2,1-2H3,(H2,20,21,22,24,25).
What are the key properties of 3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide has a molecular weight of 347.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is sourced from PubChem (CID 6416835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).