5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile

C5H4N8O — CID 605944

IUPAC5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile
SMILESN#Cc1nnn(-c2nonc2N)c1N
InChIInChI=1S/C5H4N8O/c6-1-2-4(8)13(12-9-2)5-3(7)10-14-11-5/h8H2,(H2,7,10)
InChIKeyXDYAVDVYBWDIJD-UHFFFAOYSA-N
MW192.14 g/mol
LogP-1.31
Rot. Bonds1

About 5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile

5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile (PubChem CID 605944) has the molecular formula C5H4N8O and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile
PubChem CID605944
Molecular FormulaC5H4N8O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile
SMILESN#Cc1nnn(-c2nonc2N)c1N
InChIInChI=1S/C5H4N8O/c6-1-2-4(8)13(12-9-2)5-3(7)10-14-11-5/h8H2,(H2,7,10)
InChIKeyXDYAVDVYBWDIJD-UHFFFAOYSA-N
XLogP-1.31
TPSA145.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-1H-1,2,3-triazole-4-carbonitrile
CID 6404178

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile (CID 605944) is 5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile is N#Cc1nnn(-c2nonc2N)c1N.
What is the InChIKey of 5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile?
The InChIKey is XDYAVDVYBWDIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N8O/c6-1-2-4(8)13(12-9-2)5-3(7)10-14-11-5/h8H2,(H2,7,10).
What are the key properties of 5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile?
5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile has a molecular weight of 192.14 g/mol, XLogP of -1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carbonitrile is sourced from PubChem (CID 605944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).