cyclohexane-1,3,5-tricarbonitrile

C9H9N3 — CID 11423741

IUPACcyclohexane-1,3,5-tricarbonitrile
SMILESN#CC1CC(C#N)CC(C#N)C1
InChIInChI=1S/C9H9N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h7-9H,1-3H2
InChIKeyVMUOSHREZKXCIV-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.59
Rot. Bonds

About cyclohexane-1,3,5-tricarbonitrile

cyclohexane-1,3,5-tricarbonitrile (PubChem CID 11423741) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is cyclohexane-1,3,5-tricarbonitrile.

Molecular Properties

Compound Namecyclohexane-1,3,5-tricarbonitrile
PubChem CID11423741
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Namecyclohexane-1,3,5-tricarbonitrile
SMILESN#CC1CC(C#N)CC(C#N)C1
InChIInChI=1S/C9H9N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h7-9H,1-3H2
InChIKeyVMUOSHREZKXCIV-UHFFFAOYSA-N
XLogP1.59
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,3,5-tricarbonitrile?
The IUPAC name of cyclohexane-1,3,5-tricarbonitrile (CID 11423741) is cyclohexane-1,3,5-tricarbonitrile.
What is the SMILES notation for cyclohexane-1,3,5-tricarbonitrile?
The canonical SMILES for cyclohexane-1,3,5-tricarbonitrile is N#CC1CC(C#N)CC(C#N)C1.
What is the InChIKey of cyclohexane-1,3,5-tricarbonitrile?
The InChIKey is VMUOSHREZKXCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h7-9H,1-3H2.
What are the key properties of cyclohexane-1,3,5-tricarbonitrile?
cyclohexane-1,3,5-tricarbonitrile has a molecular weight of 159.19 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,3,5-tricarbonitrile is sourced from PubChem (CID 11423741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).