N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide

C20H18N4O2 — CID 3243499

IUPACN-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
SMILESCCc1cccc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1
InChIInChI=1S/C20H18N4O2/c1-2-14-6-5-8-16(10-14)22-19(25)12-24-20(26)18-11-15-7-3-4-9-17(15)23(18)13-21-24/h3-11,13H,2,12H2,1H3,(H,22,25)
InChIKeyHJNWDIAMNHLBRS-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.85
Rot. Bonds4

About N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide

N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide (PubChem CID 3243499) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
PubChem CID3243499
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
SMILESCCc1cccc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1
InChIInChI=1S/C20H18N4O2/c1-2-14-6-5-8-16(10-14)22-19(25)12-24-20(26)18-11-15-7-3-4-9-17(15)23(18)13-21-24/h3-11,13H,2,12H2,1H3,(H,22,25)
InChIKeyHJNWDIAMNHLBRS-UHFFFAOYSA-N
XLogP2.85
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide (CID 3243499) is N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide is CCc1cccc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
The InChIKey is HJNWDIAMNHLBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-14-6-5-8-16(10-14)22-19(25)12-24-20(26)18-11-15-7-3-4-9-17(15)23(18)13-21-24/h3-11,13H,2,12H2,1H3,(H,22,25).
What are the key properties of N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide is sourced from PubChem (CID 3243499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).