1-(methoxymethyl)imidazole-4,5-dicarbonitrile

C7H6N4O — CID 15054275

IUPAC1-(methoxymethyl)imidazole-4,5-dicarbonitrile
SMILESCOCn1cnc(C#N)c1C#N
InChIInChI=1S/C7H6N4O/c1-12-5-11-4-10-6(2-8)7(11)3-9/h4H,5H2,1H3
InChIKeyMTAVILXFSMOKBB-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.23
Rot. Bonds2

About 1-(methoxymethyl)imidazole-4,5-dicarbonitrile

1-(methoxymethyl)imidazole-4,5-dicarbonitrile (PubChem CID 15054275) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-(methoxymethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(methoxymethyl)imidazole-4,5-dicarbonitrile
PubChem CID15054275
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name1-(methoxymethyl)imidazole-4,5-dicarbonitrile
SMILESCOCn1cnc(C#N)c1C#N
InChIInChI=1S/C7H6N4O/c1-12-5-11-4-10-6(2-8)7(11)3-9/h4H,5H2,1H3
InChIKeyMTAVILXFSMOKBB-UHFFFAOYSA-N
XLogP0.23
TPSA74.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1-prop-2-ynylimidazole-4,5-dicarbonitrile
CID 112595691
1-(2-aminopropyl)imidazole-4,5-dicarbonitrile
CID 102689223
1-(2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595298
1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile
CID 112595521
1-[2-ethyl-2-(sulfanylmethyl)butyl]imidazole-4,5-dicarbonitrile
CID 112595919
1-nonylimidazole-4,5-dicarbonitrile
CID 112595489
1-(3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
CID 75508781
1-(3-oxobutyl)imidazole-4,5-dicarbonitrile
CID 112595254
1-[3-(methylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595329
1-(5-amino-5-cyanohexyl)imidazole-4,5-dicarbonitrile
CID 112595359
1-[(2,4,6-trimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595657

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(methoxymethyl)imidazole-4,5-dicarbonitrile (CID 15054275) is 1-(methoxymethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(methoxymethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(methoxymethyl)imidazole-4,5-dicarbonitrile is COCn1cnc(C#N)c1C#N.
What is the InChIKey of 1-(methoxymethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is MTAVILXFSMOKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c1-12-5-11-4-10-6(2-8)7(11)3-9/h4H,5H2,1H3.
What are the key properties of 1-(methoxymethyl)imidazole-4,5-dicarbonitrile?
1-(methoxymethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 162.15 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 15054275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).