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

C16H12ClN5 — CID 3464812

IUPAC5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2=CC(c3ccccc3)n3nnnc3N2)cc1
InChIInChI=1S/C16H12ClN5/c17-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)22-16(18-14)19-20-21-22/h1-10,15H,(H,18,19,21)
InChIKeyOVHNKGXSBPVNEO-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.38
Rot. Bonds2

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

5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3464812) has the molecular formula C16H12ClN5 and a molecular weight of 309.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3464812
Molecular FormulaC16H12ClN5
Molecular Weight309.76 g/mol
Exact Mass309.08
IUPAC Name5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2=CC(c3ccccc3)n3nnnc3N2)cc1
InChIInChI=1S/C16H12ClN5/c17-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)22-16(18-14)19-20-21-22/h1-10,15H,(H,18,19,21)
InChIKeyOVHNKGXSBPVNEO-UHFFFAOYSA-N
XLogP3.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3149402
(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 686429
5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4074380
(7R)-5-(4-methoxyphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 686428
7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3526004
(7S)-5-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1088421
5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2921137
(7S)-7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2125497
7-(4-chlorophenyl)-5-(2,6-difluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3958862
5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3525349
(7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1251261
(7S)-5-(1,3-benzodioxol-5-yl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135928058

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3464812) is 5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Clc1ccc(C2=CC(c3ccccc3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is OVHNKGXSBPVNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5/c17-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)22-16(18-14)19-20-21-22/h1-10,15H,(H,18,19,21).
What are the key properties of 5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 309.76 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3464812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).