(7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C16H10ClF2N5 — CID 2125497

IUPAC(7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1cccc(F)c1C1=C[C@@H](c2ccc(Cl)cc2)n2nnnc2N1
InChIInChI=1S/C16H10ClF2N5/c17-10-6-4-9(5-7-10)14-8-13(20-16-21-22-23-24(14)16)15-11(18)2-1-3-12(15)19/h1-8,14H,(H,20,21,23)/t14-/m0/s1
InChIKeyFQFUCFBZMVGMBY-AWEZNQCLSA-N
MW345.74 g/mol
LogP3.66
Rot. Bonds2

About (7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 2125497) has the molecular formula C16H10ClF2N5 and a molecular weight of 345.74 g/mol. Its IUPAC name is (7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID2125497
Molecular FormulaC16H10ClF2N5
Molecular Weight345.74 g/mol
Exact Mass345.06
IUPAC Name(7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1cccc(F)c1C1=C[C@@H](c2ccc(Cl)cc2)n2nnnc2N1
InChIInChI=1S/C16H10ClF2N5/c17-10-6-4-9(5-7-10)14-8-13(20-16-21-22-23-24(14)16)15-11(18)2-1-3-12(15)19/h1-8,14H,(H,20,21,23)/t14-/m0/s1
InChIKeyFQFUCFBZMVGMBY-AWEZNQCLSA-N
XLogP3.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 2125497) is (7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Fc1cccc(F)c1C1=C[C@@H](c2ccc(Cl)cc2)n2nnnc2N1.
What is the InChIKey of (7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is FQFUCFBZMVGMBY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H10ClF2N5/c17-10-6-4-9(5-7-10)14-8-13(20-16-21-22-23-24(14)16)15-11(18)2-1-3-12(15)19/h1-8,14H,(H,20,21,23)/t14-/m0/s1.
What are the key properties of (7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 345.74 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2125497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).