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

C10H8ClN3O — CID 3053057

IUPAC5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C10H8ClN3O/c1-15-10-13-9(6-12-14-10)7-3-2-4-8(11)5-7/h2-6H,1H3
InChIKeyHBQQTUZFVAWGRS-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.20
Rot. Bonds2

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

5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine (PubChem CID 3053057) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine
PubChem CID3053057
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C10H8ClN3O/c1-15-10-13-9(6-12-14-10)7-3-2-4-8(11)5-7/h2-6H,1H3
InChIKeyHBQQTUZFVAWGRS-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine?
The IUPAC name of 5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine (CID 3053057) is 5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine.
What is the SMILES notation for 5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine?
The canonical SMILES for 5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine is COc1nncc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine?
The InChIKey is HBQQTUZFVAWGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c1-15-10-13-9(6-12-14-10)7-3-2-4-8(11)5-7/h2-6H,1H3.
What are the key properties of 5-(3-chlorophenyl)-3-methoxy-1,2,4-triazine?
5-(3-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-(3-chlorophenyl)-3-methoxy-1,2,4-triazine is sourced from PubChem (CID 3053057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).