6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine

C11H12ClN5O — CID 58103141

IUPAC6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCC(Oc1ccccc1Cl)c1nnc(N)nc1N
InChIInChI=1S/C11H12ClN5O/c1-6(9-10(13)15-11(14)17-16-9)18-8-5-3-2-4-7(8)12/h2-6H,1H3,(H4,13,14,15,17)
InChIKeyWXTMUPGDICZOHF-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.83
Rot. Bonds3

About 6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine

6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine (PubChem CID 58103141) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine
PubChem CID58103141
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCC(Oc1ccccc1Cl)c1nnc(N)nc1N
InChIInChI=1S/C11H12ClN5O/c1-6(9-10(13)15-11(14)17-16-9)18-8-5-3-2-4-7(8)12/h2-6H,1H3,(H4,13,14,15,17)
InChIKeyWXTMUPGDICZOHF-UHFFFAOYSA-N
XLogP1.83
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine (CID 58103141) is 6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine is CC(Oc1ccccc1Cl)c1nnc(N)nc1N.
What is the InChIKey of 6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is WXTMUPGDICZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-6(9-10(13)15-11(14)17-16-9)18-8-5-3-2-4-7(8)12/h2-6H,1H3,(H4,13,14,15,17).
What are the key properties of 6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine?
6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 265.70 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 58103141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).