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

C6H5N9O2 — CID 616587

IUPAC4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1n[nH]c(-c2nonc2N)n1
InChIInChI=1S/C6H5N9O2/c7-3-1(12-16-14-3)5-9-6(11-10-5)2-4(8)15-17-13-2/h(H2,7,14)(H2,8,15)(H,9,10,11)
InChIKeyFRGIXFDKYSYJKD-UHFFFAOYSA-N
MW235.17 g/mol
LogP-0.93
Rot. Bonds2

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

4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 616587) has the molecular formula C6H5N9O2 and a molecular weight of 235.17 g/mol. Its IUPAC name is 4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID616587
Molecular FormulaC6H5N9O2
Molecular Weight235.17 g/mol
Exact Mass235.06
IUPAC Name4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1n[nH]c(-c2nonc2N)n1
InChIInChI=1S/C6H5N9O2/c7-3-1(12-16-14-3)5-9-6(11-10-5)2-4(8)15-17-13-2/h(H2,7,14)(H2,8,15)(H,9,10,11)
InChIKeyFRGIXFDKYSYJKD-UHFFFAOYSA-N
XLogP-0.93
TPSA171.45 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

4,4'-(1-propyl-1H-1,2,4-triazole-3,5-diyl)bis(1,2,5-oxadiazol-3-amine)
CID 1907917
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
3-Nitro-4-[5-(4-nitro-1,2,5-oxadiazol-3-yl)-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazole
CID 542732
4H-1,2,4-Triazole, 3-(4-amino-3-furazanyl)-5-(4-amino-3-furazanylmethyl)-
CID 606009
4,4'-Bis[3-(fluorodinitromethyl)-1h-1,2,4-triazol-5-yl]azofurazan
CID 146048399
4,4'-(1-ethyl-1H-1,2,4-triazole-3,5-diyl)bis(1,2,5-oxadiazol-3-amine)
CID 1922516
1,3,4-Triazole, 3-methyl-2,5-bis(4-azidofurazan-5-yl)-
CID 539927
4-(1h-1,2,4-Triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 565277
3-Amino-4-(5-amino-1h-1,2,4-triazol-3-yl)-1,2,5-oxadiazole
CID 12007475
4-(5-Methyl-1,2,4-triazol-3-yl)furazan-3-amine
CID 58778287
4-nitro-5-(5-nitro-1H-1,2,4-triazol-3-yl)-2H-triazole
CID 141751488
4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 141429527

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 616587) is 4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1n[nH]c(-c2nonc2N)n1.
What is the InChIKey of 4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is FRGIXFDKYSYJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N9O2/c7-3-1(12-16-14-3)5-9-6(11-10-5)2-4(8)15-17-13-2/h(H2,7,14)(H2,8,15)(H,9,10,11).
What are the key properties of 4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 235.17 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 616587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).