5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine

C19H19N3O2 — CID 6404745

IUPAC5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccco3)nc2OC2CCCCC2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-8-14(9-4-1)17-19(24-15-10-5-2-6-11-15)20-18(22-21-17)16-12-7-13-23-16/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2
InChIKeySSYPSLGRLIKCOV-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.51
Rot. Bonds4

About 5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine

5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine (PubChem CID 6404745) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine
PubChem CID6404745
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccco3)nc2OC2CCCCC2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-8-14(9-4-1)17-19(24-15-10-5-2-6-11-15)20-18(22-21-17)16-12-7-13-23-16/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2
InChIKeySSYPSLGRLIKCOV-UHFFFAOYSA-N
XLogP4.51
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine?
The IUPAC name of 5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine (CID 6404745) is 5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine.
What is the SMILES notation for 5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine?
The canonical SMILES for 5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine is c1ccc(-c2nnc(-c3ccco3)nc2OC2CCCCC2)cc1.
What is the InChIKey of 5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine?
The InChIKey is SSYPSLGRLIKCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-8-14(9-4-1)17-19(24-15-10-5-2-6-11-15)20-18(22-21-17)16-12-7-13-23-16/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2.
What are the key properties of 5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine?
5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine has a molecular weight of 321.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine is sourced from PubChem (CID 6404745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).