2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid

C10H10N4O2 — CID 701825

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
SMILESCc1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C10H10N4O2/c1-7-2-4-8(5-3-7)10-11-13-14(12-10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyQBJSWVLDHWIJDK-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.73
Rot. Bonds3

About 2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid

2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid (PubChem CID 701825) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
PubChem CID701825
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
SMILESCc1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C10H10N4O2/c1-7-2-4-8(5-3-7)10-11-13-14(12-10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyQBJSWVLDHWIJDK-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677
2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 7712989
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465644
1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465605
2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid
CID 1134074
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
2-[2-methoxyethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetic acid
CID 119348011
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
(E)-3-amino-2-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]but-2-enenitrile
CID 24530293
(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119370606
N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 119584047

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid (CID 701825) is 2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid is Cc1ccc(-c2nnn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid?
The InChIKey is QBJSWVLDHWIJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-2-4-8(5-3-7)10-11-13-14(12-10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid?
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid has a molecular weight of 218.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid is sourced from PubChem (CID 701825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).