5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C19H19N5S — CID 3684178

IUPAC5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCc1ccc(C2=CC(c3ccc(SC)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C19H19N5S/c1-3-13-4-6-14(7-5-13)17-12-18(24-19(20-17)21-22-23-24)15-8-10-16(25-2)11-9-15/h4-12,18H,3H2,1-2H3,(H,20,21,23)
InChIKeyHRUNDZNHLPHCES-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.01
Rot. Bonds4

About 5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3684178) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3684178
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCc1ccc(C2=CC(c3ccc(SC)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C19H19N5S/c1-3-13-4-6-14(7-5-13)17-12-18(24-19(20-17)21-22-23-24)15-8-10-16(25-2)11-9-15/h4-12,18H,3H2,1-2H3,(H,20,21,23)
InChIKeyHRUNDZNHLPHCES-UHFFFAOYSA-N
XLogP4.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-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

N-(1-ethyl-1H-tetraazol-5-yl)-N-[4-(methylsulfanyl)benzyl]amine
CID 834578
7-Thiophen-2-yl-5-p-tolyl-4,7-dihydro-tetrazolo[1,5-a]pyrimidine
CID 3514594
N-[4-(methylsulfanyl)benzyl]-1-propyl-1H-tetrazol-5-amine
CID 834553
5,7-Bis(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4384576
5-(3,4-Dimethylphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4384578
1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine
CID 834587
5-Phenyl-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3155615
5-Phenyl-7-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3808649
N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide
CID 135419168
5,7-Diphenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 404636
5,7-Bis(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3619191
4-methyl-N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
CID 4003225

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3684178) is 5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CCc1ccc(C2=CC(c3ccc(SC)cc3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is HRUNDZNHLPHCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-3-13-4-6-14(7-5-13)17-12-18(24-19(20-17)21-22-23-24)15-8-10-16(25-2)11-9-15/h4-12,18H,3H2,1-2H3,(H,20,21,23).
What are the key properties of 5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 349.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3684178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).