4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one

C13H13N3O — CID 168797368

IUPAC4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one
SMILESCCc1n[nH]c(=O)c2cc3ccc(C)cc3n12
InChIInChI=1S/C13H13N3O/c1-3-12-14-15-13(17)11-7-9-5-4-8(2)6-10(9)16(11)12/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyBZLINPDMAQAHTN-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.05
Rot. Bonds1

About 4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one

4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one (PubChem CID 168797368) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one.

Molecular Properties

Compound Name4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one
PubChem CID168797368
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one
SMILESCCc1n[nH]c(=O)c2cc3ccc(C)cc3n12
InChIInChI=1S/C13H13N3O/c1-3-12-14-15-13(17)11-7-9-5-4-8(2)6-10(9)16(11)12/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyBZLINPDMAQAHTN-UHFFFAOYSA-N
XLogP2.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one?
The IUPAC name of 4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one (CID 168797368) is 4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one.
What is the SMILES notation for 4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one?
The canonical SMILES for 4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one is CCc1n[nH]c(=O)c2cc3ccc(C)cc3n12.
What is the InChIKey of 4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one?
The InChIKey is BZLINPDMAQAHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-3-12-14-15-13(17)11-7-9-5-4-8(2)6-10(9)16(11)12/h4-7H,3H2,1-2H3,(H,15,17).
What are the key properties of 4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one?
4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one has a molecular weight of 227.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one is sourced from PubChem (CID 168797368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).