3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine

C11H9Cl2N3O — CID 96667491

IUPAC3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine
SMILESCCOc1ccc(-c2cnnc(Cl)n2)cc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-2-17-10-4-3-7(5-8(10)12)9-6-14-16-11(13)15-9/h3-6H,2H2,1H3
InChIKeyBNLIYWURBAZXMR-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.24
Rot. Bonds3

About 3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine

3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine (PubChem CID 96667491) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine
PubChem CID96667491
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine
SMILESCCOc1ccc(-c2cnnc(Cl)n2)cc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-2-17-10-4-3-7(5-8(10)12)9-6-14-16-11(13)15-9/h3-6H,2H2,1H3
InChIKeyBNLIYWURBAZXMR-UHFFFAOYSA-N
XLogP3.24
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
CID 24902174
3-chloro-5-(4-propoxyphenyl)-1,2,4-triazine
CID 82480729
5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole
CID 116883702
2-(bromomethyl)-4-(3-chloro-4-ethoxyphenyl)-1,3-thiazole
CID 116970308
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983705
6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823171
4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one
CID 116879693
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831819
[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 82298313

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine (CID 96667491) is 3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine is CCOc1ccc(-c2cnnc(Cl)n2)cc1Cl.
What is the InChIKey of 3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine?
The InChIKey is BNLIYWURBAZXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-2-17-10-4-3-7(5-8(10)12)9-6-14-16-11(13)15-9/h3-6H,2H2,1H3.
What are the key properties of 3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine?
3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine has a molecular weight of 270.12 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 96667491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).