1,2-dimethylimidazole-4-carbonitrile;ethane

C8H13N3 — CID 143126435

IUPAC1,2-dimethylimidazole-4-carbonitrile;ethane
SMILESCC.Cc1nc(C#N)cn1C
InChIInChI=1S/C6H7N3.C2H6/c1-5-8-6(3-7)4-9(5)2;1-2/h4H,1-2H3;1-2H3
InChIKeyXISZSQBBSWPOHE-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.63
Rot. Bonds

About 1,2-dimethylimidazole-4-carbonitrile;ethane

1,2-dimethylimidazole-4-carbonitrile;ethane (PubChem CID 143126435) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,2-dimethylimidazole-4-carbonitrile;ethane.

Molecular Properties

Compound Name1,2-dimethylimidazole-4-carbonitrile;ethane
PubChem CID143126435
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1,2-dimethylimidazole-4-carbonitrile;ethane
SMILESCC.Cc1nc(C#N)cn1C
InChIInChI=1S/C6H7N3.C2H6/c1-5-8-6(3-7)4-9(5)2;1-2/h4H,1-2H3;1-2H3
InChIKeyXISZSQBBSWPOHE-UHFFFAOYSA-N
XLogP1.63
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-methylimidazole-4-carbonitrile
CID 139989602
2-(1H-imidazol-2-yl)-1-methylimidazole-4-carbonitrile
CID 135708785
4-(1,2-dimethylimidazol-4-yl)benzonitrile
CID 59597714
4-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-2-methylpyridine
CID 11148529
N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062274
N-(1,2-dimethylimidazol-4-yl)formamide
CID 168980267
N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62981552
N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063500
1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane
CID 144504321
5-(1,2-dimethylimidazol-4-yl)-5-oxopentanenitrile
CID 15882312
6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile
CID 82057697
6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544443

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole-4-carbonitrile;ethane?
The IUPAC name of 1,2-dimethylimidazole-4-carbonitrile;ethane (CID 143126435) is 1,2-dimethylimidazole-4-carbonitrile;ethane.
What is the SMILES notation for 1,2-dimethylimidazole-4-carbonitrile;ethane?
The canonical SMILES for 1,2-dimethylimidazole-4-carbonitrile;ethane is CC.Cc1nc(C#N)cn1C.
What is the InChIKey of 1,2-dimethylimidazole-4-carbonitrile;ethane?
The InChIKey is XISZSQBBSWPOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.C2H6/c1-5-8-6(3-7)4-9(5)2;1-2/h4H,1-2H3;1-2H3.
What are the key properties of 1,2-dimethylimidazole-4-carbonitrile;ethane?
1,2-dimethylimidazole-4-carbonitrile;ethane has a molecular weight of 151.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole-4-carbonitrile;ethane is sourced from PubChem (CID 143126435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).