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

C16H10ClF2N5 — CID 3958862

IUPAC7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1cccc(F)c1C1=CC(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)
InChIKeyFQFUCFBZMVGMBY-UHFFFAOYSA-N
MW345.74 g/mol
LogP3.66
Rot. Bonds2

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

7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3958862) has the molecular formula C16H10ClF2N5 and a molecular weight of 345.74 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3958862
Molecular FormulaC16H10ClF2N5
Molecular Weight345.74 g/mol
Exact Mass345.06
IUPAC Name7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1cccc(F)c1C1=CC(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)
InChIKeyFQFUCFBZMVGMBY-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2125497
7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3149402
5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3464812
5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4074380
7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4184169
(7S)-5-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1088421
(7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736406
(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 686429
7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4586822
(7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736316
(7S)-7-[4-(difluoromethoxy)phenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736643
5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3525349

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3958862) is 7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Fc1cccc(F)c1C1=CC(c2ccc(Cl)cc2)n2nnnc2N1.
What is the InChIKey of 7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is FQFUCFBZMVGMBY-UHFFFAOYSA-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).
What are the key properties of 7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
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 7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3958862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).