2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide

C19H18N4O3 — CID 20893856

IUPAC2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCCc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3ccccc3n12
InChIInChI=1S/C19H18N4O3/c1-2-17-21-22(12-18(24)20-11-14-7-5-9-26-14)19(25)16-10-13-6-3-4-8-15(13)23(16)17/h3-10H,2,11-12H2,1H3,(H,20,24)
InChIKeyNUINEBWMPVTLJC-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.12
Rot. Bonds5

About 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide

2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 20893856) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID20893856
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCCc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3ccccc3n12
InChIInChI=1S/C19H18N4O3/c1-2-17-21-22(12-18(24)20-11-14-7-5-9-26-14)19(25)16-10-13-6-3-4-8-15(13)23(16)17/h3-10H,2,11-12H2,1H3,(H,20,24)
InChIKeyNUINEBWMPVTLJC-UHFFFAOYSA-N
XLogP2.12
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide 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

2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 20887364
ethyl 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
CID 168797397
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-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 50926057
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-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
CID 95797928
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16896709
2-(12-ethyl-4-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 16669763
2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide
CID 20884826
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-(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
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
N-(furan-2-ylmethyl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16896715

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide (CID 20893856) is 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide is CCc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3ccccc3n12.
What is the InChIKey of 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NUINEBWMPVTLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-2-17-21-22(12-18(24)20-11-14-7-5-9-26-14)19(25)16-10-13-6-3-4-8-15(13)23(16)17/h3-10H,2,11-12H2,1H3,(H,20,24).
What are the key properties of 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide?
2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 350.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 20893856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).