7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one

C7H5N3O2 — CID 77389948

IUPAC7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one
SMILESCC=C1OC(=O)c2ncnnc21
InChIInChI=1S/C7H5N3O2/c1-2-4-5-6(7(11)12-4)8-3-9-10-5/h2-3H,1H3
InChIKeyWJIXPNDLTYWJBM-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.40
Rot. Bonds

About 7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one

7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one (PubChem CID 77389948) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one.

Molecular Properties

Compound Name7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one
PubChem CID77389948
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one
SMILESCC=C1OC(=O)c2ncnnc21
InChIInChI=1S/C7H5N3O2/c1-2-4-5-6(7(11)12-4)8-3-9-10-5/h2-3H,1H3
InChIKeyWJIXPNDLTYWJBM-UHFFFAOYSA-N
XLogP0.40
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one?
The IUPAC name of 7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one (CID 77389948) is 7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one.
What is the SMILES notation for 7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one?
The canonical SMILES for 7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one is CC=C1OC(=O)c2ncnnc21.
What is the InChIKey of 7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one?
The InChIKey is WJIXPNDLTYWJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c1-2-4-5-6(7(11)12-4)8-3-9-10-5/h2-3H,1H3.
What are the key properties of 7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one?
7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one has a molecular weight of 163.14 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one is sourced from PubChem (CID 77389948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).