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

C18H15N5O — CID 6416896

IUPAC2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCc1ccc2[nH]c3nc(NC(=O)c4ccccc4C)nnc3c2c1
InChIInChI=1S/C18H15N5O/c1-10-7-8-14-13(9-10)15-16(19-14)20-18(23-22-15)21-17(24)12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H2,19,20,21,23,24)
InChIKeyRQEPSUODFBCOKY-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.38
Rot. Bonds2

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

2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (PubChem CID 6416896) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
PubChem CID6416896
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCc1ccc2[nH]c3nc(NC(=O)c4ccccc4C)nnc3c2c1
InChIInChI=1S/C18H15N5O/c1-10-7-8-14-13(9-10)15-16(19-14)20-18(23-22-15)21-17(24)12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H2,19,20,21,23,24)
InChIKeyRQEPSUODFBCOKY-UHFFFAOYSA-N
XLogP3.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-(8-methyl-5H-[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

4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417050
3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416835
2-fluoro-N-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417049
8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 11485102
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 19577572
N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6794363
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265472
2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 6411141
N-(2-ethoxyphenyl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 43813205
N-[(Z)-(4-chlorophenyl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6410040
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6410929
N-(3-chloro-4-methylphenyl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 6411063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The IUPAC name of 2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (CID 6416896) is 2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The canonical SMILES for 2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is Cc1ccc2[nH]c3nc(NC(=O)c4ccccc4C)nnc3c2c1.
What is the InChIKey of 2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The InChIKey is RQEPSUODFBCOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-10-7-8-14-13(9-10)15-16(19-14)20-18(23-22-15)21-17(24)12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H2,19,20,21,23,24).
What are the key properties of 2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide has a molecular weight of 317.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is sourced from PubChem (CID 6416896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).