2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol

C6H8ClN3O3 — CID 54117792

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol
SMILESCOc1nc(Cl)nc(OCCO)n1
InChIInChI=1S/C6H8ClN3O3/c1-12-5-8-4(7)9-6(10-5)13-3-2-11/h11H,2-3H2,1H3
InChIKeyNLOJITNINUEVAP-UHFFFAOYSA-N
MW205.60 g/mol
LogP-0.10
Rot. Bonds4

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol (PubChem CID 54117792) has the molecular formula C6H8ClN3O3 and a molecular weight of 205.60 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol
PubChem CID54117792
Molecular FormulaC6H8ClN3O3
Molecular Weight205.60 g/mol
Exact Mass205.03
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol
SMILESCOc1nc(Cl)nc(OCCO)n1
InChIInChI=1S/C6H8ClN3O3/c1-12-5-8-4(7)9-6(10-5)13-3-2-11/h11H,2-3H2,1H3
InChIKeyNLOJITNINUEVAP-UHFFFAOYSA-N
XLogP-0.10
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.60
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol (CID 54117792) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol is COc1nc(Cl)nc(OCCO)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol?
The InChIKey is NLOJITNINUEVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O3/c1-12-5-8-4(7)9-6(10-5)13-3-2-11/h11H,2-3H2,1H3.
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol has a molecular weight of 205.60 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol is sourced from PubChem (CID 54117792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).