N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide

C22H28N4O2 — CID 6623441

IUPACN-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide
SMILESCCc1nn(CC(=O)N(C)C2CCCCC2)c(=O)c2cc3cc(C)ccc3n12
InChIInChI=1S/C22H28N4O2/c1-4-20-23-25(14-21(27)24(3)17-8-6-5-7-9-17)22(28)19-13-16-12-15(2)10-11-18(16)26(19)20/h10-13,17H,4-9,14H2,1-3H3
InChIKeyDINVJYUEHLWVOC-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.31
Rot. Bonds4

About N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide

N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide (PubChem CID 6623441) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide
PubChem CID6623441
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide
SMILESCCc1nn(CC(=O)N(C)C2CCCCC2)c(=O)c2cc3cc(C)ccc3n12
InChIInChI=1S/C22H28N4O2/c1-4-20-23-25(14-21(27)24(3)17-8-6-5-7-9-17)22(28)19-13-16-12-15(2)10-11-18(16)26(19)20/h10-13,17H,4-9,14H2,1-3H3
InChIKeyDINVJYUEHLWVOC-UHFFFAOYSA-N
XLogP3.31
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
CID 16676035
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(12-ethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20884350
N-cyclobutyl-2-(12-ethyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide
CID 16670005
N-cycloheptyl-2-(4,12-diethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20884572
N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 46959041
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20884695
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20885008
N-cyclohexyl-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 6620132
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one
CID 20893881
N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
CID 82700538
2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide
CID 20884971

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide (CID 6623441) is N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide is CCc1nn(CC(=O)N(C)C2CCCCC2)c(=O)c2cc3cc(C)ccc3n12.
What is the InChIKey of N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide?
The InChIKey is DINVJYUEHLWVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-20-23-25(14-21(27)24(3)17-8-6-5-7-9-17)22(28)19-13-16-12-15(2)10-11-18(16)26(19)20/h10-13,17H,4-9,14H2,1-3H3.
What are the key properties of N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide?
N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide has a molecular weight of 380.49 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-ethyl-8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-methylacetamide is sourced from PubChem (CID 6623441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).