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

C6H9ClN4O — CID 44561701

IUPAC4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride
SMILESCN(C)Cc1nonc1C#N.Cl
InChIInChI=1S/C6H8N4O.ClH/c1-10(2)4-6-5(3-7)8-11-9-6;/h4H2,1-2H3;1H
InChIKeyPFNGTKMAMKOSDZ-UHFFFAOYSA-N
MW188.62 g/mol
LogP0.42
Rot. Bonds2

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

4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride (PubChem CID 44561701) has the molecular formula C6H9ClN4O and a molecular weight of 188.62 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride
PubChem CID44561701
Molecular FormulaC6H9ClN4O
Molecular Weight188.62 g/mol
Exact Mass188.05
IUPAC Name4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride
SMILESCN(C)Cc1nonc1C#N.Cl
InChIInChI=1S/C6H8N4O.ClH/c1-10(2)4-6-5(3-7)8-11-9-6;/h4H2,1-2H3;1H
InChIKeyPFNGTKMAMKOSDZ-UHFFFAOYSA-N
XLogP0.42
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 50.42
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;hydrochloride?
The IUPAC name of 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride (CID 44561701) is 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride?
The canonical SMILES for 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride is CN(C)Cc1nonc1C#N.Cl.
What is the InChIKey of 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride?
The InChIKey is PFNGTKMAMKOSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O.ClH/c1-10(2)4-6-5(3-7)8-11-9-6;/h4H2,1-2H3;1H.
What are the key properties of 4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride?
4-[(dimethylamino)methyl]-1,2,5-oxadiazole-3-carbonitrile;hydrochloride has a molecular weight of 188.62 g/mol, XLogP of 0.42, 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;hydrochloride is sourced from PubChem (CID 44561701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).