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

C10H8ClN3O — CID 116823799

IUPAC5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccccc1-c1nncc(Cl)n1
InChIInChI=1S/C10H8ClN3O/c1-15-8-5-3-2-4-7(8)10-13-9(11)6-12-14-10/h2-6H,1H3
InChIKeyBFPLCVXEYSTQAB-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.20
Rot. Bonds2

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

5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine (PubChem CID 116823799) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine
PubChem CID116823799
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccccc1-c1nncc(Cl)n1
InChIInChI=1S/C10H8ClN3O/c1-15-8-5-3-2-4-7(8)10-13-9(11)6-12-14-10/h2-6H,1H3
InChIKeyBFPLCVXEYSTQAB-UHFFFAOYSA-N
XLogP2.20
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine
CID 116823727
4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557608
2-(2-methoxyphenyl)-5-methylpyrimidine
CID 155698550
4-chloro-2-(2-methoxyphenyl)-1,3-thiazole
CID 83158767
4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline
CID 63086198
2-chloro-6-(2-methoxyphenoxy)pyrazine
CID 61057285
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327050
2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911
3-chloro-4-(2-methoxyphenyl)pyridine
CID 134375392
3-chloro-5-(2-methoxyphenyl)-1,2-thiazole
CID 83911216
4-chloro-6-fluoro-2-(2-methoxyphenyl)quinazoline
CID 58683904

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine?
The IUPAC name of 5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine (CID 116823799) is 5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine is COc1ccccc1-c1nncc(Cl)n1.
What is the InChIKey of 5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine?
The InChIKey is BFPLCVXEYSTQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c1-15-8-5-3-2-4-7(8)10-13-9(11)6-12-14-10/h2-6H,1H3.
What are the key properties of 5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine?
5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine has a molecular weight of 221.65 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 116823799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).