6-cyclohexylphthalazine

C14H16N2 — CID 21134758

IUPAC6-cyclohexylphthalazine
SMILESc1cc2cnncc2cc1C1CCCCC1
InChIInChI=1S/C14H16N2/c1-2-4-11(5-3-1)12-6-7-13-9-15-16-10-14(13)8-12/h6-11H,1-5H2
InChIKeyFCZDBUCJKXFMHY-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.68
Rot. Bonds1

About 6-cyclohexylphthalazine

6-cyclohexylphthalazine (PubChem CID 21134758) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 6-cyclohexylphthalazine.

Molecular Properties

Compound Name6-cyclohexylphthalazine
PubChem CID21134758
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name6-cyclohexylphthalazine
SMILESc1cc2cnncc2cc1C1CCCCC1
InChIInChI=1S/C14H16N2/c1-2-4-11(5-3-1)12-6-7-13-9-15-16-10-14(13)8-12/h6-11H,1-5H2
InChIKeyFCZDBUCJKXFMHY-UHFFFAOYSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylphthalazine?
The IUPAC name of 6-cyclohexylphthalazine (CID 21134758) is 6-cyclohexylphthalazine.
What is the SMILES notation for 6-cyclohexylphthalazine?
The canonical SMILES for 6-cyclohexylphthalazine is c1cc2cnncc2cc1C1CCCCC1.
What is the InChIKey of 6-cyclohexylphthalazine?
The InChIKey is FCZDBUCJKXFMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-4-11(5-3-1)12-6-7-13-9-15-16-10-14(13)8-12/h6-11H,1-5H2.
What are the key properties of 6-cyclohexylphthalazine?
6-cyclohexylphthalazine has a molecular weight of 212.30 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylphthalazine is sourced from PubChem (CID 21134758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).