1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one

C10H8ClN3O2 — CID 19837629

IUPAC1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one
SMILESCOc1ncn(-c2ccccc2Cl)c(=O)n1
InChIInChI=1S/C10H8ClN3O2/c1-16-9-12-6-14(10(15)13-9)8-5-3-2-4-7(8)11/h2-6H,1H3
InChIKeyAMDRHLNGLLQSCU-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.29
Rot. Bonds2

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

1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one (PubChem CID 19837629) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one
PubChem CID19837629
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one
SMILESCOc1ncn(-c2ccccc2Cl)c(=O)n1
InChIInChI=1S/C10H8ClN3O2/c1-16-9-12-6-14(10(15)13-9)8-5-3-2-4-7(8)11/h2-6H,1H3
InChIKeyAMDRHLNGLLQSCU-UHFFFAOYSA-N
XLogP1.29
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one (CID 19837629) is 1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one is COc1ncn(-c2ccccc2Cl)c(=O)n1.
What is the InChIKey of 1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one?
The InChIKey is AMDRHLNGLLQSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-16-9-12-6-14(10(15)13-9)8-5-3-2-4-7(8)11/h2-6H,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one?
1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one has a molecular weight of 237.65 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-methoxy-1,3,5-triazin-2-one is sourced from PubChem (CID 19837629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).