3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine

C11H15Cl2N3O — CID 81035475

IUPAC3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine
SMILESCCC1CCCC(Oc2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C11H15Cl2N3O/c1-2-7-4-3-5-8(6-7)17-10-9(12)15-16-11(13)14-10/h7-8H,2-6H2,1H3
InChIKeyYJYCSBCNMWZODC-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.53
Rot. Bonds3

About 3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine

3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine (PubChem CID 81035475) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine
PubChem CID81035475
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine
SMILESCCC1CCCC(Oc2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C11H15Cl2N3O/c1-2-7-4-3-5-8(6-7)17-10-9(12)15-16-11(13)14-10/h7-8H,2-6H2,1H3
InChIKeyYJYCSBCNMWZODC-UHFFFAOYSA-N
XLogP3.53
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine (CID 81035475) is 3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine is CCC1CCCC(Oc2nc(Cl)nnc2Cl)C1.
What is the InChIKey of 3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine?
The InChIKey is YJYCSBCNMWZODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-2-7-4-3-5-8(6-7)17-10-9(12)15-16-11(13)14-10/h7-8H,2-6H2,1H3.
What are the key properties of 3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine?
3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine has a molecular weight of 276.17 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(3-ethylcyclohexyl)oxy-1,2,4-triazine is sourced from PubChem (CID 81035475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).