3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid

C13H10N4O3 — CID 43244445

IUPAC3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H10N4O3/c18-13(19)11-10(6-7-20-11)8-17-15-12(14-16-17)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)
InChIKeyDBFMCHJJJATVGV-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.68
Rot. Bonds4

About 3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid

3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid (PubChem CID 43244445) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid
PubChem CID43244445
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H10N4O3/c18-13(19)11-10(6-7-20-11)8-17-15-12(14-16-17)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)
InChIKeyDBFMCHJJJATVGV-UHFFFAOYSA-N
XLogP1.68
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62448659
methyl 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]furan-2-carboxylate
CID 18122488
methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate
CID 134024131
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
3-[(5-phenyltetrazol-2-yl)methyl]thiophene-2-carbohydrazide
CID 63640410
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
4-[2-[(2-methylphenyl)methyl]tetrazol-5-yl]benzoate
CID 6987693
3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 62351599
3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153189
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595
N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3578555
methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate
CID 162443610

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid (CID 43244445) is 3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid is O=C(O)c1occc1Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid?
The InChIKey is DBFMCHJJJATVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-13(19)11-10(6-7-20-11)8-17-15-12(14-16-17)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19).
What are the key properties of 3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid?
3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid has a molecular weight of 270.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 43244445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).