5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine

C10H8ClN3O — CID 3053064

IUPAC5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H8ClN3O/c1-15-10-13-9(6-12-14-10)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKeyNVIUCKLTKSZXBV-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.20
Rot. Bonds2

About 5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine

5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine (PubChem CID 3053064) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine
PubChem CID3053064
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H8ClN3O/c1-15-10-13-9(6-12-14-10)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKeyNVIUCKLTKSZXBV-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

3-(Methylthio)-5-phenyl-1,2,4-triazine
CID 98541
5-Phenyl-1,2,4-triazin-3-amine
CID 97081
1,2,4-Triazine, 5-(4-chlorophenyl)-3-(methylthio)-
CID 2799497
6-(4-Chlorophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 621011
as-Triazine, 5-(4-chlorophenyl)-3-hydrazino-
CID 3042263
Propionic acid, 2-(5-(4-chlorophenyl)-3-as-triazinyl)hydrazide
CID 3053068
as-Triazine, 5-(3-chlorophenyl)-3-hydrazino-
CID 3053950
as-Triazine, 5-(3,4-dichlorophenyl)-3-hydrazino-
CID 3053951
1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(2-chlorophenyl)-
CID 3054501
1-(3-Phenyl-1,2,4-triazin-5-yl)-1-butanone (4-chlorophenyl)hydrazone
CID 56642858
1-(3-Phenyl-1,2,4-triazin-5-yl)ethanone (4-chlorophenyl)hydrazone
CID 56642945
Acetic acid, 2-(5-(3,4-dichlorophenyl)-3-as-triazinyl)hydrazide
CID 51090

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine?
The IUPAC name of 5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine (CID 3053064) is 5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine?
The canonical SMILES for 5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine is COc1nncc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine?
The InChIKey is NVIUCKLTKSZXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c1-15-10-13-9(6-12-14-10)7-2-4-8(11)5-3-7/h2-6H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-methoxy-1,2,4-triazine?
5-(4-chlorophenyl)-3-methoxy-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-(4-chlorophenyl)-3-methoxy-1,2,4-triazine is sourced from PubChem (CID 3053064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).