7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C22H15Cl2N5 — CID 3526004

IUPAC7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)c(Cl)c1
InChIInChI=1S/C22H15Cl2N5/c23-17-10-11-18(19(24)12-17)21-13-20(25-22-26-27-28-29(21)22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,21H,(H,25,26,28)
InChIKeyJONVESGJJHQOLX-UHFFFAOYSA-N
MW420.30 g/mol
LogP5.70
Rot. Bonds3

About 7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3526004) has the molecular formula C22H15Cl2N5 and a molecular weight of 420.30 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3526004
Molecular FormulaC22H15Cl2N5
Molecular Weight420.30 g/mol
Exact Mass419.07
IUPAC Name7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)c(Cl)c1
InChIInChI=1S/C22H15Cl2N5/c23-17-10-11-18(19(24)12-17)21-13-20(25-22-26-27-28-29(21)22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,21H,(H,25,26,28)
InChIKeyJONVESGJJHQOLX-UHFFFAOYSA-N
XLogP5.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.30
LogP ≤ 55.70
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-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3526004) is 7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Clc1ccc(C2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)c(Cl)c1.
What is the InChIKey of 7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is JONVESGJJHQOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N5/c23-17-10-11-18(19(24)12-17)21-13-20(25-22-26-27-28-29(21)22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,21H,(H,25,26,28).
What are the key properties of 7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 420.30 g/mol, XLogP of 5.70, 3 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-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3526004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).