7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine

C11H9N5O — CID 29136752

IUPAC7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nnnn23)cc1
InChIInChI=1S/C11H9N5O/c1-17-9-4-2-8(3-5-9)10-6-7-12-11-13-14-15-16(10)11/h2-7H,1H3
InChIKeyBFYXJVUXHIXRMQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.19
Rot. Bonds2

About 7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine

7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine (PubChem CID 29136752) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine
PubChem CID29136752
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nnnn23)cc1
InChIInChI=1S/C11H9N5O/c1-17-9-4-2-8(3-5-9)10-6-7-12-11-13-14-15-16(10)11/h2-7H,1H3
InChIKeyBFYXJVUXHIXRMQ-UHFFFAOYSA-N
XLogP1.19
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine (CID 29136752) is 7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3nnnn23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine?
The InChIKey is BFYXJVUXHIXRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-17-9-4-2-8(3-5-9)10-6-7-12-11-13-14-15-16(10)11/h2-7H,1H3.
What are the key properties of 7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine has a molecular weight of 227.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)tetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 29136752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).