2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide

C19H18N4O2S — CID 20887348

IUPAC2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1nn(CC(=O)NCCc2cccs2)c(=O)c2cc3ccccc3n12
InChIInChI=1S/C19H18N4O2S/c1-13-21-22(12-18(24)20-9-8-15-6-4-10-26-15)19(25)17-11-14-5-2-3-7-16(14)23(13)17/h2-7,10-11H,8-9,12H2,1H3,(H,20,24)
InChIKeyFELTWCVAYXKVMA-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.38
Rot. Bonds5

About 2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide

2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 20887348) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID20887348
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1nn(CC(=O)NCCc2cccs2)c(=O)c2cc3ccccc3n12
InChIInChI=1S/C19H18N4O2S/c1-13-21-22(12-18(24)20-9-8-15-6-4-10-26-15)19(25)17-11-14-5-2-3-7-16(14)23(13)17/h2-7,10-11H,8-9,12H2,1H3,(H,20,24)
InChIKeyFELTWCVAYXKVMA-UHFFFAOYSA-N
XLogP2.38
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide (CID 20887348) is 2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide is Cc1nn(CC(=O)NCCc2cccs2)c(=O)c2cc3ccccc3n12.
What is the InChIKey of 2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is FELTWCVAYXKVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-21-22(12-18(24)20-9-8-15-6-4-10-26-15)19(25)17-11-14-5-2-3-7-16(14)23(13)17/h2-7,10-11H,8-9,12H2,1H3,(H,20,24).
What are the key properties of 2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide?
2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 366.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 20887348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).