2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid

C12H14N4O2 — CID 114993133

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid
SMILESCc1nc(C)n(C(C)(C(=O)O)c2ccccn2)n1
InChIInChI=1S/C12H14N4O2/c1-8-14-9(2)16(15-8)12(3,11(17)18)10-6-4-5-7-13-10/h4-7H,1-3H3,(H,17,18)
InChIKeyRKBOLZQMJJZWSV-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.14
Rot. Bonds3

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid (PubChem CID 114993133) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid
PubChem CID114993133
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid
SMILESCc1nc(C)n(C(C)(C(=O)O)c2ccccn2)n1
InChIInChI=1S/C12H14N4O2/c1-8-14-9(2)16(15-8)12(3,11(17)18)10-6-4-5-7-13-10/h4-7H,1-3H3,(H,17,18)
InChIKeyRKBOLZQMJJZWSV-UHFFFAOYSA-N
XLogP1.14
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid
CID 114994211
2-(3-methyl-2-oxoimidazolidin-1-yl)-2-pyridin-2-ylpropanoic acid
CID 114996239
2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid
CID 114992503
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
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CID 174788262
2-pyridin-2-yl-2-(2,2,2-trifluoroethoxy)propanoic acid
CID 114992469
2-cyclopropyl-2-pyridin-2-ylpropanoic acid
CID 70421817
ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
CID 91491715
2-hydroxy-3-methyl-2-pyridin-2-ylbutanoic acid
CID 83698678
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid
CID 70071240

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid (CID 114993133) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid is Cc1nc(C)n(C(C)(C(=O)O)c2ccccn2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid?
The InChIKey is RKBOLZQMJJZWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-14-9(2)16(15-8)12(3,11(17)18)10-6-4-5-7-13-10/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid has a molecular weight of 246.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 114993133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).