(5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C11H13N5 — CID 135766965

IUPAC(5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESC[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1
InChIInChI=1S/C11H13N5/c1-8-7-10(9-5-3-2-4-6-9)16-11(12-8)13-14-15-16/h2-6,8,10H,7H2,1H3,(H,12,13,15)/t8-,10-/m1/s1
InChIKeyOFEXZEAICZFWQT-PSASIEDQSA-N
MW215.26 g/mol
LogP1.47
Rot. Bonds1

About (5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

(5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 135766965) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is (5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID135766965
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name(5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESC[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1
InChIInChI=1S/C11H13N5/c1-8-7-10(9-5-3-2-4-6-9)16-11(12-8)13-14-15-16/h2-6,8,10H,7H2,1H3,(H,12,13,15)/t8-,10-/m1/s1
InChIKeyOFEXZEAICZFWQT-PSASIEDQSA-N
XLogP1.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 135766965) is (5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is C[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1.
What is the InChIKey of (5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is OFEXZEAICZFWQT-PSASIEDQSA-N. The full InChI is InChI=1S/C11H13N5/c1-8-7-10(9-5-3-2-4-6-9)16-11(12-8)13-14-15-16/h2-6,8,10H,7H2,1H3,(H,12,13,15)/t8-,10-/m1/s1.
What are the key properties of (5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
(5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 215.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-5-methyl-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135766965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).