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

C18H17N5O — CID 5192991

IUPAC5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3cccc(C)c3)n3nnnc3N2)cc1
InChIInChI=1S/C18H17N5O/c1-12-4-3-5-14(10-12)17-11-16(19-18-20-21-22-23(17)18)13-6-8-15(24-2)9-7-13/h3-11,17H,1-2H3,(H,19,20,22)
InChIKeyKFFKKKTWUOTRAK-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.05
Rot. Bonds3

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

5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 5192991) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID5192991
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3cccc(C)c3)n3nnnc3N2)cc1
InChIInChI=1S/C18H17N5O/c1-12-4-3-5-14(10-12)17-11-16(19-18-20-21-22-23(17)18)13-6-8-15(24-2)9-7-13/h3-11,17H,1-2H3,(H,19,20,22)
InChIKeyKFFKKKTWUOTRAK-UHFFFAOYSA-N
XLogP3.05
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 5192991) is 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2=CC(c3cccc(C)c3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is KFFKKKTWUOTRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-4-3-5-14(10-12)17-11-16(19-18-20-21-22-23(17)18)13-6-8-15(24-2)9-7-13/h3-11,17H,1-2H3,(H,19,20,22).
What are the key properties of 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 319.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5192991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).