6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one

C11H10ClN3O2 — CID 106520374

IUPAC6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2ccc(C)c(Cl)c2)[nH]c(=O)n1
InChIInChI=1S/C11H10ClN3O2/c1-6-3-4-7(5-8(6)12)9-13-10(16)15-11(14-9)17-2/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyFBBJALDWAJSTAX-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.80
Rot. Bonds2

About 6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one

6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one (PubChem CID 106520374) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
PubChem CID106520374
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2ccc(C)c(Cl)c2)[nH]c(=O)n1
InChIInChI=1S/C11H10ClN3O2/c1-6-3-4-7(5-8(6)12)9-13-10(16)15-11(14-9)17-2/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyFBBJALDWAJSTAX-UHFFFAOYSA-N
XLogP1.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one
CID 106515333
6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106517961
6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 107362492
2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136873133
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106515179
4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole
CID 91686479
[2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride
CID 22563322
4-tert-butyl-2-(3-chloro-4-methylphenyl)-5-iodo-1H-pyrimidin-6-one
CID 136873143
6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106522452
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 115504311

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one (CID 106520374) is 6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one is COc1nc(-c2ccc(C)c(Cl)c2)[nH]c(=O)n1.
What is the InChIKey of 6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The InChIKey is FBBJALDWAJSTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6-3-4-7(5-8(6)12)9-13-10(16)15-11(14-9)17-2/h3-5H,1-2H3,(H,13,14,15,16).
What are the key properties of 6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one has a molecular weight of 251.67 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 106520374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).