4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine

C14H22N4O — CID 65330318

IUPAC4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCCCC2)nc(C2CCCO2)n1
InChIInChI=1S/C14H22N4O/c15-14-17-12(10-6-3-1-2-4-7-10)16-13(18-14)11-8-5-9-19-11/h10-11H,1-9H2,(H2,15,16,17,18)
InChIKeyDGOCDFIEFLQZJB-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.74
Rot. Bonds2

About 4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine

4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 65330318) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
PubChem CID65330318
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCCCC2)nc(C2CCCO2)n1
InChIInChI=1S/C14H22N4O/c15-14-17-12(10-6-3-1-2-4-7-10)16-13(18-14)11-8-5-9-19-11/h10-11H,1-9H2,(H2,15,16,17,18)
InChIKeyDGOCDFIEFLQZJB-UHFFFAOYSA-N
XLogP2.74
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine (CID 65330318) is 4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine is Nc1nc(C2CCCCCC2)nc(C2CCCO2)n1.
What is the InChIKey of 4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is DGOCDFIEFLQZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-14-17-12(10-6-3-1-2-4-7-10)16-13(18-14)11-8-5-9-19-11/h10-11H,1-9H2,(H2,15,16,17,18).
What are the key properties of 4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65330318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).