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

C19H17N5O2 — CID 6416813

IUPAC4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc3c4ccccc4n(C)c3n2)cc1
InChIInChI=1S/C19H17N5O2/c1-3-26-13-10-8-12(9-11-13)18(25)21-19-20-17-16(22-23-19)14-6-4-5-7-15(14)24(17)2/h4-11H,3H2,1-2H3,(H,20,21,23,25)
InChIKeyKZNVGNABJZTDMM-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.17
Rot. Bonds4

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

4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (PubChem CID 6416813) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
PubChem CID6416813
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc3c4ccccc4n(C)c3n2)cc1
InChIInChI=1S/C19H17N5O2/c1-3-26-13-10-8-12(9-11-13)18(25)21-19-20-17-16(22-23-19)14-6-4-5-7-15(14)24(17)2/h4-11H,3H2,1-2H3,(H,20,21,23,25)
InChIKeyKZNVGNABJZTDMM-UHFFFAOYSA-N
XLogP3.17
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide
CID 6417161
N-[1-(4-ethoxyphenyl)ethylideneamino]-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6808001
4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416763
1-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]-3-phenylurea
CID 10806537
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265598
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417136
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
CID 17246252
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265254
4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
CID 46308068
ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate
CID 177421986

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (CID 6416813) is 4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is CCOc1ccc(C(=O)Nc2nnc3c4ccccc4n(C)c3n2)cc1.
What is the InChIKey of 4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The InChIKey is KZNVGNABJZTDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-3-26-13-10-8-12(9-11-13)18(25)21-19-20-17-16(22-23-19)14-6-4-5-7-15(14)24(17)2/h4-11H,3H2,1-2H3,(H,20,21,23,25).
What are the key properties of 4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide has a molecular weight of 347.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is sourced from PubChem (CID 6416813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).