2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine

C12H18ClN3O2 — CID 62858517

IUPAC2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(OC2CCC(C)CC2)n1
InChIInChI=1S/C12H18ClN3O2/c1-3-17-11-14-10(13)15-12(16-11)18-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyOQLBQCVSFOEWHF-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.88
Rot. Bonds4

About 2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine

2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine (PubChem CID 62858517) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine
PubChem CID62858517
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(OC2CCC(C)CC2)n1
InChIInChI=1S/C12H18ClN3O2/c1-3-17-11-14-10(13)15-12(16-11)18-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyOQLBQCVSFOEWHF-UHFFFAOYSA-N
XLogP2.88
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine (CID 62858517) is 2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine is CCOc1nc(Cl)nc(OC2CCC(C)CC2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine?
The InChIKey is OQLBQCVSFOEWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-3-17-11-14-10(13)15-12(16-11)18-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine?
2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine has a molecular weight of 271.75 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(4-methylcyclohexyl)oxy-1,3,5-triazine is sourced from PubChem (CID 62858517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).