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

C10H13Cl2N3O — CID 81035274

IUPAC3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine
SMILESCC1CCCC(Oc2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C10H13Cl2N3O/c1-6-3-2-4-7(5-6)16-9-8(11)14-15-10(12)13-9/h6-7H,2-5H2,1H3
InChIKeyYNWFXGRFCQQFOR-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.14
Rot. Bonds2

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

3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine (PubChem CID 81035274) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine
PubChem CID81035274
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine
SMILESCC1CCCC(Oc2nc(Cl)nnc2Cl)C1
InChIInChI=1S/C10H13Cl2N3O/c1-6-3-2-4-7(5-6)16-9-8(11)14-15-10(12)13-9/h6-7H,2-5H2,1H3
InChIKeyYNWFXGRFCQQFOR-UHFFFAOYSA-N
XLogP3.14
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.14
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-methylcyclohexyl)oxy-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine (CID 81035274) is 3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine is CC1CCCC(Oc2nc(Cl)nnc2Cl)C1.
What is the InChIKey of 3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine?
The InChIKey is YNWFXGRFCQQFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-6-3-2-4-7(5-6)16-9-8(11)14-15-10(12)13-9/h6-7H,2-5H2,1H3.
What are the key properties of 3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine?
3,6-dichloro-5-(3-methylcyclohexyl)oxy-1,2,4-triazine has a molecular weight of 262.14 g/mol, XLogP of 3.14, 2 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-methylcyclohexyl)oxy-1,2,4-triazine is sourced from PubChem (CID 81035274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).