5-amino-1,2-dimethylimidazole-4-carbonitrile

C6H8N4 — CID 12730732

IUPAC5-amino-1,2-dimethylimidazole-4-carbonitrile
SMILESCc1nc(C#N)c(N)n1C
InChIInChI=1S/C6H8N4/c1-4-9-5(3-7)6(8)10(4)2/h8H2,1-2H3
InChIKeyQZWMPTZSRJGNJI-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.18
Rot. Bonds

About 5-amino-1,2-dimethylimidazole-4-carbonitrile

5-amino-1,2-dimethylimidazole-4-carbonitrile (PubChem CID 12730732) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 5-amino-1,2-dimethylimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1,2-dimethylimidazole-4-carbonitrile
PubChem CID12730732
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name5-amino-1,2-dimethylimidazole-4-carbonitrile
SMILESCc1nc(C#N)c(N)n1C
InChIInChI=1S/C6H8N4/c1-4-9-5(3-7)6(8)10(4)2/h8H2,1-2H3
InChIKeyQZWMPTZSRJGNJI-UHFFFAOYSA-N
XLogP0.18
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,2-dimethylimidazole-4-carbonitrile?
The IUPAC name of 5-amino-1,2-dimethylimidazole-4-carbonitrile (CID 12730732) is 5-amino-1,2-dimethylimidazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1,2-dimethylimidazole-4-carbonitrile?
The canonical SMILES for 5-amino-1,2-dimethylimidazole-4-carbonitrile is Cc1nc(C#N)c(N)n1C.
What is the InChIKey of 5-amino-1,2-dimethylimidazole-4-carbonitrile?
The InChIKey is QZWMPTZSRJGNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-4-9-5(3-7)6(8)10(4)2/h8H2,1-2H3.
What are the key properties of 5-amino-1,2-dimethylimidazole-4-carbonitrile?
5-amino-1,2-dimethylimidazole-4-carbonitrile has a molecular weight of 136.16 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,2-dimethylimidazole-4-carbonitrile is sourced from PubChem (CID 12730732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).