[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol

C11H15Cl2N3O2 — CID 171765184

IUPAC[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol
SMILESOCC1CCC(COc2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C11H15Cl2N3O2/c12-9-14-10(13)16-11(15-9)18-6-8-3-1-7(5-17)2-4-8/h7-8,17H,1-6H2
InChIKeyKXAWEGOYGVJMNZ-UHFFFAOYSA-N
MW292.17 g/mol
LogP2.36
Rot. Bonds4

About [4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol

[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol (PubChem CID 171765184) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is [4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol
PubChem CID171765184
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol
SMILESOCC1CCC(COc2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C11H15Cl2N3O2/c12-9-14-10(13)16-11(15-9)18-6-8-3-1-7(5-17)2-4-8/h7-8,17H,1-6H2
InChIKeyKXAWEGOYGVJMNZ-UHFFFAOYSA-N
XLogP2.36
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol?
The IUPAC name of [4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol (CID 171765184) is [4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol?
The canonical SMILES for [4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol is OCC1CCC(COc2nc(Cl)nc(Cl)n2)CC1.
What is the InChIKey of [4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol?
The InChIKey is KXAWEGOYGVJMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2/c12-9-14-10(13)16-11(15-9)18-6-8-3-1-7(5-17)2-4-8/h7-8,17H,1-6H2.
What are the key properties of [4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol?
[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol has a molecular weight of 292.17 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol is sourced from PubChem (CID 171765184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).