5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid

C14H11FN6O3 — CID 59461252

IUPAC5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cc(CNC(=O)c2cc(C(=O)O)n3nnnc3n2)ccc1F
InChIInChI=1S/C14H11FN6O3/c1-7-4-8(2-3-9(7)15)6-16-12(22)10-5-11(13(23)24)21-14(17-10)18-19-20-21/h2-5H,6H2,1H3,(H,16,22)(H,23,24)
InChIKeyGQBRUTJJNSWUCQ-UHFFFAOYSA-N
MW330.28 g/mol
LogP0.60
Rot. Bonds4

About 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid

5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 59461252) has the molecular formula C14H11FN6O3 and a molecular weight of 330.28 g/mol. Its IUPAC name is 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID59461252
Molecular FormulaC14H11FN6O3
Molecular Weight330.28 g/mol
Exact Mass330.09
IUPAC Name5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cc(CNC(=O)c2cc(C(=O)O)n3nnnc3n2)ccc1F
InChIInChI=1S/C14H11FN6O3/c1-7-4-8(2-3-9(7)15)6-16-12(22)10-5-11(13(23)24)21-14(17-10)18-19-20-21/h2-5H,6H2,1H3,(H,16,22)(H,23,24)
InChIKeyGQBRUTJJNSWUCQ-UHFFFAOYSA-N
XLogP0.60
TPSA122.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 59461252) is 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid is Cc1cc(CNC(=O)c2cc(C(=O)O)n3nnnc3n2)ccc1F.
What is the InChIKey of 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is GQBRUTJJNSWUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O3/c1-7-4-8(2-3-9(7)15)6-16-12(22)10-5-11(13(23)24)21-14(17-10)18-19-20-21/h2-5H,6H2,1H3,(H,16,22)(H,23,24).
What are the key properties of 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 330.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 59461252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).