2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid

C13H8Cl2N4O2 — CID 103201086

IUPAC2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1nc2nccc(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C13H8Cl2N4O2/c14-7-1-2-8(9(15)5-7)10-3-4-16-13-17-11(6-12(20)21)18-19(10)13/h1-5H,6H2,(H,20,21)
InChIKeyKYRBWRPCNPZUJG-UHFFFAOYSA-N
MW323.14 g/mol
LogP2.73
Rot. Bonds3

About 2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid

2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid (PubChem CID 103201086) has the molecular formula C13H8Cl2N4O2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
PubChem CID103201086
Molecular FormulaC13H8Cl2N4O2
Molecular Weight323.14 g/mol
Exact Mass322.00
IUPAC Name2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1nc2nccc(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C13H8Cl2N4O2/c14-7-1-2-8(9(15)5-7)10-3-4-16-13-17-11(6-12(20)21)18-19(10)13/h1-5H,6H2,(H,20,21)
InChIKeyKYRBWRPCNPZUJG-UHFFFAOYSA-N
XLogP2.73
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-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-[7-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201076
2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201002
2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 118836281
2-[3-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
CID 103201006
2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 42788974
2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133087191
ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11198460
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
(2-chloro-3-pyridinyl)-[4-[7-(2,5-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46092938
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
CID 133091115
7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56737952

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid (CID 103201086) is 2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid is O=C(O)Cc1nc2nccc(-c3ccc(Cl)cc3Cl)n2n1.
What is the InChIKey of 2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid?
The InChIKey is KYRBWRPCNPZUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O2/c14-7-1-2-8(9(15)5-7)10-3-4-16-13-17-11(6-12(20)21)18-19(10)13/h1-5H,6H2,(H,20,21).
What are the key properties of 2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid?
2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid has a molecular weight of 323.14 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 103201086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).