4,6-dichloro-5-cyclohexyltriazine

C9H11Cl2N3 — CID 154164394

IUPAC4,6-dichloro-5-cyclohexyltriazine
SMILESClc1nnnc(Cl)c1C1CCCCC1
InChIInChI=1S/C9H11Cl2N3/c10-8-7(9(11)13-14-12-8)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyIMEWDRCLQMBAMW-UHFFFAOYSA-N
MW232.11 g/mol
LogP3.23
Rot. Bonds1

About 4,6-dichloro-5-cyclohexyltriazine

4,6-dichloro-5-cyclohexyltriazine (PubChem CID 154164394) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclohexyltriazine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclohexyltriazine
PubChem CID154164394
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name4,6-dichloro-5-cyclohexyltriazine
SMILESClc1nnnc(Cl)c1C1CCCCC1
InChIInChI=1S/C9H11Cl2N3/c10-8-7(9(11)13-14-12-8)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyIMEWDRCLQMBAMW-UHFFFAOYSA-N
XLogP3.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469
4,6-dichloro-5-cyclobutylpyrimidine
CID 99989029
4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine
CID 112569410
4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine
CID 112569454
4,6-dichloro-5-cyclopentyl-2-(1-methoxycyclohexyl)pyrimidine
CID 116746440
4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine
CID 112569446
4,6-dichloro-2,5-dicyclopropylpyrimidine
CID 118990185
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
2-chloro-5-cycloheptyl-1,3,4-thiadiazole
CID 63386353
5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
CID 66317033
5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161
4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine
CID 80550143

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclohexyltriazine?
The IUPAC name of 4,6-dichloro-5-cyclohexyltriazine (CID 154164394) is 4,6-dichloro-5-cyclohexyltriazine.
What is the SMILES notation for 4,6-dichloro-5-cyclohexyltriazine?
The canonical SMILES for 4,6-dichloro-5-cyclohexyltriazine is Clc1nnnc(Cl)c1C1CCCCC1.
What is the InChIKey of 4,6-dichloro-5-cyclohexyltriazine?
The InChIKey is IMEWDRCLQMBAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c10-8-7(9(11)13-14-12-8)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 4,6-dichloro-5-cyclohexyltriazine?
4,6-dichloro-5-cyclohexyltriazine has a molecular weight of 232.11 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-cyclohexyltriazine is sourced from PubChem (CID 154164394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).