4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile

C6N6O2 — CID 10726262

IUPAC4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile
SMILESN#Cc1noc(-c2nonc2C#N)n1
InChIInChI=1S/C6N6O2/c7-1-3-5(12-14-10-3)6-9-4(2-8)11-13-6
InChIKeyVBHDSIWDAINVRY-UHFFFAOYSA-N
MW188.11 g/mol
LogP-0.14
Rot. Bonds1

About 4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile

4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile (PubChem CID 10726262) has the molecular formula C6N6O2 and a molecular weight of 188.11 g/mol. Its IUPAC name is 4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile.

Molecular Properties

Compound Name4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile
PubChem CID10726262
Molecular FormulaC6N6O2
Molecular Weight188.11 g/mol
Exact Mass188.01
IUPAC Name4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile
SMILESN#Cc1noc(-c2nonc2C#N)n1
InChIInChI=1S/C6N6O2/c7-1-3-5(12-14-10-3)6-9-4(2-8)11-13-6
InChIKeyVBHDSIWDAINVRY-UHFFFAOYSA-N
XLogP-0.14
TPSA125.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-1,2,5-oxadiazole-3-carbonitrile
CID 82418880
5,6-dioxopyrimido[5,4-h]quinazoline-2,4,7,9-tetracarbonitrile
CID 70451325
4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676829
3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,6,10,11,15,17-hexacarbonitrile
CID 70451310
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62806086
5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631887
6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106526743
5-amino-4-methyl-1,2-oxazole-3-carbonitrile
CID 90903187
4-bromo-5-methyl-1,2-oxazole-3-carbonitrile
CID 116858984
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 62808401
4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile
CID 101079793

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile?
The IUPAC name of 4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile (CID 10726262) is 4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile.
What is the SMILES notation for 4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile?
The canonical SMILES for 4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile is N#Cc1noc(-c2nonc2C#N)n1.
What is the InChIKey of 4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile?
The InChIKey is VBHDSIWDAINVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6N6O2/c7-1-3-5(12-14-10-3)6-9-4(2-8)11-13-6.
What are the key properties of 4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile?
4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile has a molecular weight of 188.11 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile is sourced from PubChem (CID 10726262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).