1-propylimidazole-4,5-dicarbonitrile

C8H8N4 — CID 15721928

IUPAC1-propylimidazole-4,5-dicarbonitrile
SMILESCCCn1cnc(C#N)c1C#N
InChIInChI=1S/C8H8N4/c1-2-3-12-6-11-7(4-9)8(12)5-10/h6H,2-3H2,1H3
InChIKeyKGQZNAHBOCPMLV-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.04
Rot. Bonds2

About 1-propylimidazole-4,5-dicarbonitrile

1-propylimidazole-4,5-dicarbonitrile (PubChem CID 15721928) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-propylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-propylimidazole-4,5-dicarbonitrile
PubChem CID15721928
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1-propylimidazole-4,5-dicarbonitrile
SMILESCCCn1cnc(C#N)c1C#N
InChIInChI=1S/C8H8N4/c1-2-3-12-6-11-7(4-9)8(12)5-10/h6H,2-3H2,1H3
InChIKeyKGQZNAHBOCPMLV-UHFFFAOYSA-N
XLogP1.04
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propylimidazole-4,5-dicarbonitrile?
The IUPAC name of 1-propylimidazole-4,5-dicarbonitrile (CID 15721928) is 1-propylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-propylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-propylimidazole-4,5-dicarbonitrile is CCCn1cnc(C#N)c1C#N.
What is the InChIKey of 1-propylimidazole-4,5-dicarbonitrile?
The InChIKey is KGQZNAHBOCPMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-3-12-6-11-7(4-9)8(12)5-10/h6H,2-3H2,1H3.
What are the key properties of 1-propylimidazole-4,5-dicarbonitrile?
1-propylimidazole-4,5-dicarbonitrile has a molecular weight of 160.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 15721928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).