2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane

C13H14N4O — CID 142105998

IUPAC2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane
SMILESC=C1N=C2C(=O)c3ccccc3C2=NN1N.CC
InChIInChI=1S/C11H8N4O.C2H6/c1-6-13-10-9(14-15(6)12)7-4-2-3-5-8(7)11(10)16;1-2/h2-5H,1,12H2;1-2H3
InChIKeyQHSXMJIQHZKBCK-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.71
Rot. Bonds

About 2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane

2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane (PubChem CID 142105998) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane.

Molecular Properties

Compound Name2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane
PubChem CID142105998
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane
SMILESC=C1N=C2C(=O)c3ccccc3C2=NN1N.CC
InChIInChI=1S/C11H8N4O.C2H6/c1-6-13-10-9(14-15(6)12)7-4-2-3-5-8(7)11(10)16;1-2/h2-5H,1,12H2;1-2H3
InChIKeyQHSXMJIQHZKBCK-UHFFFAOYSA-N
XLogP1.71
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane?
The IUPAC name of 2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane (CID 142105998) is 2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane.
What is the SMILES notation for 2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane?
The canonical SMILES for 2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane is C=C1N=C2C(=O)c3ccccc3C2=NN1N.CC.
What is the InChIKey of 2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane?
The InChIKey is QHSXMJIQHZKBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O.C2H6/c1-6-13-10-9(14-15(6)12)7-4-2-3-5-8(7)11(10)16;1-2/h2-5H,1,12H2;1-2H3.
What are the key properties of 2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane?
2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane has a molecular weight of 242.28 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylideneindeno[2,1-e][1,2,4]triazin-5-one;ethane is sourced from PubChem (CID 142105998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).