7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid

C11H9N5O2 — CID 74549053

IUPAC7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=Nc2nnnn2C(c2ccccc2)C1
InChIInChI=1S/C11H9N5O2/c17-10(18)8-6-9(7-4-2-1-3-5-7)16-11(12-8)13-14-15-16/h1-5,9H,6H2,(H,17,18)
InChIKeyMEWBQZKLLWMEEF-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.82
Rot. Bonds2

About 7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 74549053) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID74549053
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=Nc2nnnn2C(c2ccccc2)C1
InChIInChI=1S/C11H9N5O2/c17-10(18)8-6-9(7-4-2-1-3-5-7)16-11(12-8)13-14-15-16/h1-5,9H,6H2,(H,17,18)
InChIKeyMEWBQZKLLWMEEF-UHFFFAOYSA-N
XLogP0.82
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 74549053) is 7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)C1=Nc2nnnn2C(c2ccccc2)C1.
What is the InChIKey of 7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is MEWBQZKLLWMEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c17-10(18)8-6-9(7-4-2-1-3-5-7)16-11(12-8)13-14-15-16/h1-5,9H,6H2,(H,17,18).
What are the key properties of 7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 243.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 74549053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).