2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid

C10H10N4O2 — CID 82285362

IUPAC2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid
SMILESCc1cccc(-n2nnc(CC(=O)O)n2)c1
InChIInChI=1S/C10H10N4O2/c1-7-3-2-4-8(5-7)14-12-9(11-13-14)6-10(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyDXLSGLVXXVRTRU-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.60
Rot. Bonds3

About 2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid

2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid (PubChem CID 82285362) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid
PubChem CID82285362
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid
SMILESCc1cccc(-n2nnc(CC(=O)O)n2)c1
InChIInChI=1S/C10H10N4O2/c1-7-3-2-4-8(5-7)14-12-9(11-13-14)6-10(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyDXLSGLVXXVRTRU-UHFFFAOYSA-N
XLogP0.60
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-(3-methylphenyl)tetrazole
CID 143793801
2-[1-(3-methylphenyl)-5-phenyltriazol-4-yl]acetic acid
CID 82198087
3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid
CID 82295196
2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole
CID 90032618
2-[1-(3-methylphenyl)pyrazol-4-yl]acetic acid
CID 83887006
5-methyl-2-(3-methylphenyl)benzotriazole
CID 57226885
3-[5-methyl-1-(3-methylphenyl)triazol-4-yl]propanoic acid
CID 82198090
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
3-[2-(2,6-dimethylphenyl)tetrazol-5-yl]propanoic acid
CID 82295200
3-[2-(2-bromo-4-methylphenyl)tetrazol-5-yl]propanoic acid
CID 82308879
3-[[3-(5-methyltetrazol-2-yl)benzoyl]amino]propanoic acid
CID 168974288
2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde
CID 87601401

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid (CID 82285362) is 2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid is Cc1cccc(-n2nnc(CC(=O)O)n2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid?
The InChIKey is DXLSGLVXXVRTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-3-2-4-8(5-7)14-12-9(11-13-14)6-10(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid?
2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid has a molecular weight of 218.22 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 82285362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).