4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile

C6H8N4O — CID 44561702

IUPAC4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile
SMILESCN(C)Cc1nonc1C#N
InChIInChI=1S/C6H8N4O/c1-10(2)4-6-5(3-7)8-11-9-6/h4H2,1-2H3
InChIKeyJVRRRUVWXGJAQS-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.00
Rot. Bonds2

About 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile

4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile (PubChem CID 44561702) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile
PubChem CID44561702
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile
SMILESCN(C)Cc1nonc1C#N
InChIInChI=1S/C6H8N4O/c1-10(2)4-6-5(3-7)8-11-9-6/h4H2,1-2H3
InChIKeyJVRRRUVWXGJAQS-UHFFFAOYSA-N
XLogP0.00
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile?
The IUPAC name of 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile (CID 44561702) is 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile?
The canonical SMILES for 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile is CN(C)Cc1nonc1C#N.
What is the InChIKey of 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile?
The InChIKey is JVRRRUVWXGJAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-10(2)4-6-5(3-7)8-11-9-6/h4H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile?
4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile has a molecular weight of 152.16 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile is sourced from PubChem (CID 44561702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).