7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine

C12H7N5O — CID 127043811

IUPAC7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine
SMILESc1ccc2oc(-c3ccnc4nnnn34)cc2c1
InChIInChI=1S/C12H7N5O/c1-2-4-10-8(3-1)7-11(18-10)9-5-6-13-12-14-15-16-17(9)12/h1-7H
InChIKeyXTZALLKANSEPMC-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.93
Rot. Bonds1

About 7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine

7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine (PubChem CID 127043811) has the molecular formula C12H7N5O and a molecular weight of 237.22 g/mol. Its IUPAC name is 7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine
PubChem CID127043811
Molecular FormulaC12H7N5O
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine
SMILESc1ccc2oc(-c3ccnc4nnnn34)cc2c1
InChIInChI=1S/C12H7N5O/c1-2-4-10-8(3-1)7-11(18-10)9-5-6-13-12-14-15-16-17(9)12/h1-7H
InChIKeyXTZALLKANSEPMC-UHFFFAOYSA-N
XLogP1.93
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine (CID 127043811) is 7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine is c1ccc2oc(-c3ccnc4nnnn34)cc2c1.
What is the InChIKey of 7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine?
The InChIKey is XTZALLKANSEPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5O/c1-2-4-10-8(3-1)7-11(18-10)9-5-6-13-12-14-15-16-17(9)12/h1-7H.
What are the key properties of 7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine?
7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine has a molecular weight of 237.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 127043811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).