5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C10H9N5 — CID 727137

IUPAC5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccccc2)Nc2nnnn2C1
InChIInChI=1S/C10H9N5/c1-2-4-8(5-3-1)9-6-7-15-10(11-9)12-13-14-15/h1-6H,7H2,(H,11,12,14)
InChIKeyWTFRYRFNRVFFEJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.14
Rot. Bonds1

About 5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 727137) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID727137
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccccc2)Nc2nnnn2C1
InChIInChI=1S/C10H9N5/c1-2-4-8(5-3-1)9-6-7-15-10(11-9)12-13-14-15/h1-6H,7H2,(H,11,12,14)
InChIKeyWTFRYRFNRVFFEJ-UHFFFAOYSA-N
XLogP1.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 727137) is 5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is C1=C(c2ccccc2)Nc2nnnn2C1.
What is the InChIKey of 5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is WTFRYRFNRVFFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-2-4-8(5-3-1)9-6-7-15-10(11-9)12-13-14-15/h1-6H,7H2,(H,11,12,14).
What are the key properties of 5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 199.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 727137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).