7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one

C8H6N6O2 — CID 135624236

IUPAC7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one
SMILESNc1nc(=O)[nH]c2nc(-c3ccco3)nn12
InChIInChI=1S/C8H6N6O2/c9-6-11-8(15)12-7-10-5(13-14(6)7)4-2-1-3-16-4/h1-3H,(H3,9,10,11,12,13,15)
InChIKeyLELZVPCSZAASEG-UHFFFAOYSA-N
MW218.18 g/mol
LogP-0.35
Rot. Bonds1

About 7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one

7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one (PubChem CID 135624236) has the molecular formula C8H6N6O2 and a molecular weight of 218.18 g/mol. Its IUPAC name is 7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one.

Molecular Properties

Compound Name7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one
PubChem CID135624236
Molecular FormulaC8H6N6O2
Molecular Weight218.18 g/mol
Exact Mass218.06
IUPAC Name7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one
SMILESNc1nc(=O)[nH]c2nc(-c3ccco3)nn12
InChIInChI=1S/C8H6N6O2/c9-6-11-8(15)12-7-10-5(13-14(6)7)4-2-1-3-16-4/h1-3H,(H3,9,10,11,12,13,15)
InChIKeyLELZVPCSZAASEG-UHFFFAOYSA-N
XLogP-0.35
TPSA115.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one?
The IUPAC name of 7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one (CID 135624236) is 7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one.
What is the SMILES notation for 7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one?
The canonical SMILES for 7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one is Nc1nc(=O)[nH]c2nc(-c3ccco3)nn12.
What is the InChIKey of 7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one?
The InChIKey is LELZVPCSZAASEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6O2/c9-6-11-8(15)12-7-10-5(13-14(6)7)4-2-1-3-16-4/h1-3H,(H3,9,10,11,12,13,15).
What are the key properties of 7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one?
7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one has a molecular weight of 218.18 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-one is sourced from PubChem (CID 135624236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).