2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide

C18H22N4O3 — CID 20884826

IUPAC2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(CC)n2c(cc3c(OC)cccc32)c1=O
InChIInChI=1S/C18H22N4O3/c1-4-9-19-17(23)11-21-18(24)14-10-12-13(7-6-8-15(12)25-3)22(14)16(5-2)20-21/h6-8,10H,4-5,9,11H2,1-3H3,(H,19,23)
InChIKeyHGUDGQZUBFFUJA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.75
Rot. Bonds6

About 2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide

2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide (PubChem CID 20884826) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide
PubChem CID20884826
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(CC)n2c(cc3c(OC)cccc32)c1=O
InChIInChI=1S/C18H22N4O3/c1-4-9-19-17(23)11-21-18(24)14-10-12-13(7-6-8-15(12)25-3)22(14)16(5-2)20-21/h6-8,10H,4-5,9,11H2,1-3H3,(H,19,23)
InChIKeyHGUDGQZUBFFUJA-UHFFFAOYSA-N
XLogP1.75
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20884837
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884847
2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 20884842
2-(9-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 20884760
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 20885004
2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 20887364
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)-N-[(2-methoxyphenyl)methyl]acetamide
CID 16669942
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20885008
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)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 20884573
2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 20893856
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)-N-(3-methylbutyl)acetamide
CID 20884310
9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one
CID 20884799

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide?
The IUPAC name of 2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide (CID 20884826) is 2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide is CCCNC(=O)Cn1nc(CC)n2c(cc3c(OC)cccc32)c1=O.
What is the InChIKey of 2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide?
The InChIKey is HGUDGQZUBFFUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-9-19-17(23)11-21-18(24)14-10-12-13(7-6-8-15(12)25-3)22(14)16(5-2)20-21/h6-8,10H,4-5,9,11H2,1-3H3,(H,19,23).
What are the key properties of 2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide?
2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide has a molecular weight of 342.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide is sourced from PubChem (CID 20884826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).