2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid

C10H10N4O2 — CID 63653713

IUPAC2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid
SMILESCc1ccc(-n2nnnc2C)cc1C(=O)O
InChIInChI=1S/C10H10N4O2/c1-6-3-4-8(5-9(6)10(15)16)14-7(2)11-12-13-14/h3-5H,1-2H3,(H,15,16)
InChIKeyAGPNQQRVAPRDTP-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.98
Rot. Bonds2

About 2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid

2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid (PubChem CID 63653713) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid
PubChem CID63653713
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid
SMILESCc1ccc(-n2nnnc2C)cc1C(=O)O
InChIInChI=1S/C10H10N4O2/c1-6-3-4-8(5-9(6)10(15)16)14-7(2)11-12-13-14/h3-5H,1-2H3,(H,15,16)
InChIKeyAGPNQQRVAPRDTP-UHFFFAOYSA-N
XLogP0.98
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid?
The IUPAC name of 2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid (CID 63653713) is 2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid.
What is the SMILES notation for 2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid?
The canonical SMILES for 2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid is Cc1ccc(-n2nnnc2C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid?
The InChIKey is AGPNQQRVAPRDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-3-4-8(5-9(6)10(15)16)14-7(2)11-12-13-14/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid?
2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid has a molecular weight of 218.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid is sourced from PubChem (CID 63653713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).