2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid

C12H10ClN3O2 — CID 82486126

IUPAC2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10ClN3O2/c1-7-14-10(6-11(17)18)16-12(15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,17,18)
InChIKeyMIOKPKODUPKYHU-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.13
Rot. Bonds3

About 2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid

2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid (PubChem CID 82486126) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid
PubChem CID82486126
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10ClN3O2/c1-7-14-10(6-11(17)18)16-12(15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,17,18)
InChIKeyMIOKPKODUPKYHU-UHFFFAOYSA-N
XLogP2.13
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid
CID 82488332
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid
CID 68852154
4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine
CID 12798609
2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid
CID 117225382
2-(4-benzyl-6-methyl-1,3,5-triazin-2-yl)acetic acid
CID 82477973
3-[5-(4-chlorophenyl)-1-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82486818
2-[4-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768572
[4-(4-ethyl-6-methyl-1,3,5-triazin-2-yl)phenyl]methanol
CID 71058174
2-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 53214310
1-[4-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]phenyl]ethanone
CID 58875675
3-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]propanoic acid
CID 98020477
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid (CID 82486126) is 2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid is Cc1nc(CC(=O)O)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid?
The InChIKey is MIOKPKODUPKYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7-14-10(6-11(17)18)16-12(15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid?
2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid has a molecular weight of 263.68 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid is sourced from PubChem (CID 82486126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).