2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid

C12H11FN4O3 — CID 66287910

IUPAC2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
SMILESCc1ccc(F)cc1NC(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C12H11FN4O3/c1-7-2-3-8(13)4-9(7)14-12(20)10-5-17(16-15-10)6-11(18)19/h2-5H,6H2,1H3,(H,14,20)(H,18,19)
InChIKeyUYRZMBHDGKOTAC-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.06
Rot. Bonds4

About 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid

2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid (PubChem CID 66287910) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
PubChem CID66287910
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
SMILESCc1ccc(F)cc1NC(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C12H11FN4O3/c1-7-2-3-8(13)4-9(7)14-12(20)10-5-17(16-15-10)6-11(18)19/h2-5H,6H2,1H3,(H,14,20)(H,18,19)
InChIKeyUYRZMBHDGKOTAC-UHFFFAOYSA-N
XLogP1.06
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-chloro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289358
2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288119
2-[4-[(2,4,5-trifluorophenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288564
2-[4-[(4-bromo-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66291024
2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288769
2-[4-[(2-chlorophenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66290398
1-benzyl-N-(2,4-difluorophenyl)triazole-4-carboxamide
CID 18152169
N-(5-fluoro-2-methylphenyl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214830
2-[4-[(3-fluorophenyl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66288334
2-[4-[(5-bromo-2-methoxyphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288965
2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66289567
2-[4-[2-(4-chloro-3-methylphenyl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 167961993

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid (CID 66287910) is 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid is Cc1ccc(F)cc1NC(=O)c1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid?
The InChIKey is UYRZMBHDGKOTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c1-7-2-3-8(13)4-9(7)14-12(20)10-5-17(16-15-10)6-11(18)19/h2-5H,6H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid?
2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid has a molecular weight of 278.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 66287910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).