2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine

C8H7Cl2N5 — CID 164655760

IUPAC2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine
SMILESCCc1cnn(-c2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C8H7Cl2N5/c1-2-5-3-11-15(4-5)8-13-6(9)12-7(10)14-8/h3-4H,2H2,1H3
InChIKeyXXRXIURAOCKXNW-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.93
Rot. Bonds2

About 2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine

2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine (PubChem CID 164655760) has the molecular formula C8H7Cl2N5 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine
PubChem CID164655760
Molecular FormulaC8H7Cl2N5
Molecular Weight244.09 g/mol
Exact Mass243.01
IUPAC Name2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine
SMILESCCc1cnn(-c2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C8H7Cl2N5/c1-2-5-3-11-15(4-5)8-13-6(9)12-7(10)14-8/h3-4H,2H2,1H3
InChIKeyXXRXIURAOCKXNW-UHFFFAOYSA-N
XLogP1.93
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine
CID 89049574
1-(4-bromophenyl)-4-ethylpyrazole
CID 84804013
5-(4-ethylpyrazol-1-yl)pyridin-2-amine
CID 58399291
2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole
CID 164655719
4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80852898
2-(4-ethylpyrazol-1-yl)aniline
CID 84770437
ethane;4-ethyl-1-methylpyrazole
CID 143829284
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide
CID 64781416
1-butan-2-yl-4-ethylpyrazole
CID 153355505
1,4-diethylpyrazole;ethane
CID 143641951
5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine
CID 164655777
[1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine
CID 84780964

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine (CID 164655760) is 2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine is CCc1cnn(-c2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine?
The InChIKey is XXRXIURAOCKXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5/c1-2-5-3-11-15(4-5)8-13-6(9)12-7(10)14-8/h3-4H,2H2,1H3.
What are the key properties of 2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine?
2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine has a molecular weight of 244.09 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 164655760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).