3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine

C8H11Cl2N3O2 — CID 81036039

IUPAC3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine
SMILESCC(C)OCCOc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H11Cl2N3O2/c1-5(2)14-3-4-15-7-6(9)12-13-8(10)11-7/h5H,3-4H2,1-2H3
InChIKeyLANPJHKYPGYTFQ-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.98
Rot. Bonds5

About 3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine

3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine (PubChem CID 81036039) has the molecular formula C8H11Cl2N3O2 and a molecular weight of 252.10 g/mol. Its IUPAC name is 3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine
PubChem CID81036039
Molecular FormulaC8H11Cl2N3O2
Molecular Weight252.10 g/mol
Exact Mass251.02
IUPAC Name3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine
SMILESCC(C)OCCOc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H11Cl2N3O2/c1-5(2)14-3-4-15-7-6(9)12-13-8(10)11-7/h5H,3-4H2,1-2H3
InChIKeyLANPJHKYPGYTFQ-UHFFFAOYSA-N
XLogP1.98
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine (CID 81036039) is 3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine is CC(C)OCCOc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine?
The InChIKey is LANPJHKYPGYTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3O2/c1-5(2)14-3-4-15-7-6(9)12-13-8(10)11-7/h5H,3-4H2,1-2H3.
What are the key properties of 3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine?
3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine has a molecular weight of 252.10 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(2-propan-2-yloxyethoxy)-1,2,4-triazine is sourced from PubChem (CID 81036039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).