2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide

C19H24N4O3 — CID 20884873

IUPAC2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc2c(c1)cc1c(=O)n(CC(=O)NCCC(C)C)nc(C)n12
InChIInChI=1S/C19H24N4O3/c1-12(2)7-8-20-18(24)11-22-19(25)17-10-14-9-15(26-4)5-6-16(14)23(17)13(3)21-22/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,20,24)
InChIKeyPDFJQICWDVOXDX-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.13
Rot. Bonds6

About 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide

2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide (PubChem CID 20884873) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide
PubChem CID20884873
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc2c(c1)cc1c(=O)n(CC(=O)NCCC(C)C)nc(C)n12
InChIInChI=1S/C19H24N4O3/c1-12(2)7-8-20-18(24)11-22-19(25)17-10-14-9-15(26-4)5-6-16(14)23(17)13(3)21-22/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,20,24)
InChIKeyPDFJQICWDVOXDX-UHFFFAOYSA-N
XLogP2.13
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-(3-methylbutyl)acetamide
CID 50927013
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 20884692
2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-phenylethyl)acetamide
CID 20884963
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide
CID 20884684
4-(4,12-dimethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(3-methylbutyl)butanamide
CID 20884109
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
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46271402
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
2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
CID 20953720
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20885008
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20893850
2-[1-(4-methoxyphenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-(3-methylbutyl)acetamide
CID 70717122

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide (CID 20884873) is 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide is COc1ccc2c(c1)cc1c(=O)n(CC(=O)NCCC(C)C)nc(C)n12.
What is the InChIKey of 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is PDFJQICWDVOXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)7-8-20-18(24)11-22-19(25)17-10-14-9-15(26-4)5-6-16(14)23(17)13(3)21-22/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,20,24).
What are the key properties of 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide?
2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 20884873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).