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

C10H8ClN3O2 — CID 115001246

IUPAC3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine
SMILESCOc1ccc(Oc2cnnc(Cl)n2)cc1
InChIInChI=1S/C10H8ClN3O2/c1-15-7-2-4-8(5-3-7)16-9-6-12-14-10(11)13-9/h2-6H,1H3
InChIKeySCDXQGVMDCRPJD-UHFFFAOYSA-N
MW237.65 g/mol
LogP2.33
Rot. Bonds3

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

3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine (PubChem CID 115001246) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine
PubChem CID115001246
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine
SMILESCOc1ccc(Oc2cnnc(Cl)n2)cc1
InChIInChI=1S/C10H8ClN3O2/c1-15-7-2-4-8(5-3-7)16-9-6-12-14-10(11)13-9/h2-6H,1H3
InChIKeySCDXQGVMDCRPJD-UHFFFAOYSA-N
XLogP2.33
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine (CID 115001246) is 3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine is COc1ccc(Oc2cnnc(Cl)n2)cc1.
What is the InChIKey of 3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine?
The InChIKey is SCDXQGVMDCRPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-15-7-2-4-8(5-3-7)16-9-6-12-14-10(11)13-9/h2-6H,1H3.
What are the key properties of 3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine?
3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine has a molecular weight of 237.65 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine is sourced from PubChem (CID 115001246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).