5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C17H14ClN5 — CID 4074380

IUPAC5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1cccc(C2C=C(c3ccc(Cl)cc3)Nc3nnnn32)c1
InChIInChI=1S/C17H14ClN5/c1-11-3-2-4-13(9-11)16-10-15(12-5-7-14(18)8-6-12)19-17-20-21-22-23(16)17/h2-10,16H,1H3,(H,19,20,22)
InChIKeyDTSIBFIOGYEFMK-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.69
Rot. Bonds2

About 5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4074380) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4074380
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1cccc(C2C=C(c3ccc(Cl)cc3)Nc3nnnn32)c1
InChIInChI=1S/C17H14ClN5/c1-11-3-2-4-13(9-11)16-10-15(12-5-7-14(18)8-6-12)19-17-20-21-22-23(16)17/h2-10,16H,1H3,(H,19,20,22)
InChIKeyDTSIBFIOGYEFMK-UHFFFAOYSA-N
XLogP3.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4074380) is 5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Cc1cccc(C2C=C(c3ccc(Cl)cc3)Nc3nnnn32)c1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is DTSIBFIOGYEFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c1-11-3-2-4-13(9-11)16-10-15(12-5-7-14(18)8-6-12)19-17-20-21-22-23(16)17/h2-10,16H,1H3,(H,19,20,22).
What are the key properties of 5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 323.79 g/mol, XLogP of 3.69, 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-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4074380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).