5-chloro-3-cyclohexyl-1,2,4-triazine

C9H12ClN3 — CID 116823809

IUPAC5-chloro-3-cyclohexyl-1,2,4-triazine
SMILESClc1cnnc(C2CCCCC2)n1
InChIInChI=1S/C9H12ClN3/c10-8-6-11-13-9(12-8)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyOITADAYYIAYFBS-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.57
Rot. Bonds1

About 5-chloro-3-cyclohexyl-1,2,4-triazine

5-chloro-3-cyclohexyl-1,2,4-triazine (PubChem CID 116823809) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 5-chloro-3-cyclohexyl-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-3-cyclohexyl-1,2,4-triazine
PubChem CID116823809
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name5-chloro-3-cyclohexyl-1,2,4-triazine
SMILESClc1cnnc(C2CCCCC2)n1
InChIInChI=1S/C9H12ClN3/c10-8-6-11-13-9(12-8)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyOITADAYYIAYFBS-UHFFFAOYSA-N
XLogP2.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123163685
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4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
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6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463215
2-chloro-4-cyclooctyl-6-cycloundecyl-1,3,5-triazine
CID 146635331
5-bromo-4-chloro-2-cyclooctylpyrimidine
CID 80603225
4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469
5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid
CID 82168565
4-chloro-2-cyclooctyl-6-propylpyrimidine
CID 80602535
4-chloro-2-cyclooctyl-6-(2-methylpropyl)pyrimidine
CID 80603227
3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine
CID 116824028
4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine
CID 80550143

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclohexyl-1,2,4-triazine?
The IUPAC name of 5-chloro-3-cyclohexyl-1,2,4-triazine (CID 116823809) is 5-chloro-3-cyclohexyl-1,2,4-triazine.
What is the SMILES notation for 5-chloro-3-cyclohexyl-1,2,4-triazine?
The canonical SMILES for 5-chloro-3-cyclohexyl-1,2,4-triazine is Clc1cnnc(C2CCCCC2)n1.
What is the InChIKey of 5-chloro-3-cyclohexyl-1,2,4-triazine?
The InChIKey is OITADAYYIAYFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8-6-11-13-9(12-8)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 5-chloro-3-cyclohexyl-1,2,4-triazine?
5-chloro-3-cyclohexyl-1,2,4-triazine has a molecular weight of 197.67 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclohexyl-1,2,4-triazine is sourced from PubChem (CID 116823809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).