7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C16H13Cl2N5 — CID 3341711

IUPAC7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2CC(c3ccccc3)Nc3nnnn32)c(Cl)c1
InChIInChI=1S/C16H13Cl2N5/c17-11-6-7-12(13(18)8-11)15-9-14(10-4-2-1-3-5-10)19-16-20-21-22-23(15)16/h1-8,14-15H,9H2,(H,19,20,22)
InChIKeyXJEPAZKIPDLVHM-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.13
Rot. Bonds2

About 7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3341711) has the molecular formula C16H13Cl2N5 and a molecular weight of 346.22 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID3341711
Molecular FormulaC16H13Cl2N5
Molecular Weight346.22 g/mol
Exact Mass345.05
IUPAC Name7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2CC(c3ccccc3)Nc3nnnn32)c(Cl)c1
InChIInChI=1S/C16H13Cl2N5/c17-11-6-7-12(13(18)8-11)15-9-14(10-4-2-1-3-5-10)19-16-20-21-22-23(15)16/h1-8,14-15H,9H2,(H,19,20,22)
InChIKeyXJEPAZKIPDLVHM-UHFFFAOYSA-N
XLogP4.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 3341711) is 7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is Clc1ccc(C2CC(c3ccccc3)Nc3nnnn32)c(Cl)c1.
What is the InChIKey of 7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is XJEPAZKIPDLVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5/c17-11-6-7-12(13(18)8-11)15-9-14(10-4-2-1-3-5-10)19-16-20-21-22-23(15)16/h1-8,14-15H,9H2,(H,19,20,22).
What are the key properties of 7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 346.22 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-5-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3341711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).