4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine

C7H6N8O2 — CID 659720

IUPAC4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1nonc1-c1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C7H6N8O2/c1-2-3(13-16-12-2)6-9-7(11-10-6)4-5(8)15-17-14-4/h1H3,(H2,8,15)(H,9,10,11)
InChIKeyZQZQNNAHUAEZSY-UHFFFAOYSA-N
MW234.18 g/mol
LogP-0.20
Rot. Bonds2

About 4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine

4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 659720) has the molecular formula C7H6N8O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
PubChem CID659720
Molecular FormulaC7H6N8O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1nonc1-c1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C7H6N8O2/c1-2-3(13-16-12-2)6-9-7(11-10-6)4-5(8)15-17-14-4/h1H3,(H2,8,15)(H,9,10,11)
InChIKeyZQZQNNAHUAEZSY-UHFFFAOYSA-N
XLogP-0.20
TPSA145.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine (CID 659720) is 4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine is Cc1nonc1-c1nc(-c2nonc2N)n[nH]1.
What is the InChIKey of 4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is ZQZQNNAHUAEZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N8O2/c1-2-3(13-16-12-2)6-9-7(11-10-6)4-5(8)15-17-14-4/h1H3,(H2,8,15)(H,9,10,11).
What are the key properties of 4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 234.18 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 659720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).