1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid

C10H10N4O3 — CID 12752372

IUPAC1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
SMILESCOc1ccc(Cn2nnnc2C(=O)O)cc1
InChIInChI=1S/C10H10N4O3/c1-17-8-4-2-7(3-5-8)6-14-9(10(15)16)11-12-13-14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyUYPRLWMCXNTAIA-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.43
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid

1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid (PubChem CID 12752372) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
PubChem CID12752372
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
SMILESCOc1ccc(Cn2nnnc2C(=O)O)cc1
InChIInChI=1S/C10H10N4O3/c1-17-8-4-2-7(3-5-8)6-14-9(10(15)16)11-12-13-14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyUYPRLWMCXNTAIA-UHFFFAOYSA-N
XLogP0.43
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid
CID 23354570
3-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 82384081
5-chloro-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 13436393
methyl 3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propanoate
CID 69189007
1-[[4-[(E)-3-(5-ethoxy-2-methoxyphenyl)prop-2-enoxy]phenyl]methyl]tetrazole-5-carboxylic acid
CID 73387615
1-[[4-[(E)-3-(4-ethoxy-2-methoxyphenyl)prop-2-enoxy]phenyl]methyl]tetrazole-5-carboxylic acid
CID 73387616
ethyl 1-[2-(4-methoxyphenyl)ethyl]tetrazole-5-carboxylate
CID 79318396
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 51244716
1-benzyltetrazole-5-carboxamide
CID 122714819
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642733
5-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 102644508
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid (CID 12752372) is 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid is COc1ccc(Cn2nnnc2C(=O)O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid?
The InChIKey is UYPRLWMCXNTAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-17-8-4-2-7(3-5-8)6-14-9(10(15)16)11-12-13-14/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid?
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid has a molecular weight of 234.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid is sourced from PubChem (CID 12752372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).