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

C15H17N3O2 — CID 82488332

IUPAC2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid
SMILESCCCc1ccc(-c2nc(C)nc(CC(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-3-4-11-5-7-12(8-6-11)15-17-10(2)16-13(18-15)9-14(19)20/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyFCEQFWWMRJMEKN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.43
Rot. Bonds5

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

2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid (PubChem CID 82488332) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid
PubChem CID82488332
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid
SMILESCCCc1ccc(-c2nc(C)nc(CC(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-3-4-11-5-7-12(8-6-11)15-17-10(2)16-13(18-15)9-14(19)20/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyFCEQFWWMRJMEKN-UHFFFAOYSA-N
XLogP2.43
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid
CID 82486126
[4-(4-ethyl-6-methyl-1,3,5-triazin-2-yl)phenyl]methanol
CID 71058174
2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane
CID 145044910
2-(4-benzyl-6-methyl-1,3,5-triazin-2-yl)acetic acid
CID 82477973
2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 116852062
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid
CID 68852154
ethane;4-propylbenzoic acid
CID 91047964
7-[4-[2-(4-propylphenyl)pyrimidin-5-yl]phenyl]heptanoic acid
CID 70190328
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
2-[4-(5-decylpyrimidin-2-yl)phenyl]acetic acid
CID 70283460
1-(4-propylphenyl)propan-2-one
CID 82490574

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid?
The IUPAC name of 2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid (CID 82488332) is 2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid is CCCc1ccc(-c2nc(C)nc(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid?
The InChIKey is FCEQFWWMRJMEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-4-11-5-7-12(8-6-11)15-17-10(2)16-13(18-15)9-14(19)20/h5-8H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid?
2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(4-propylphenyl)-1,3,5-triazin-2-yl]acetic acid is sourced from PubChem (CID 82488332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).