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

C19H19N5O — CID 4121049

IUPAC5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCc1ccc(C2=CC(c3cccc(OC)c3)n3nnnc3N2)cc1
InChIInChI=1S/C19H19N5O/c1-3-13-7-9-14(10-8-13)17-12-18(24-19(20-17)21-22-23-24)15-5-4-6-16(11-15)25-2/h4-12,18H,3H2,1-2H3,(H,20,21,23)
InChIKeyLQXAGGCFNOVNJT-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.30
Rot. Bonds4

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

5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4121049) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4121049
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCc1ccc(C2=CC(c3cccc(OC)c3)n3nnnc3N2)cc1
InChIInChI=1S/C19H19N5O/c1-3-13-7-9-14(10-8-13)17-12-18(24-19(20-17)21-22-23-24)15-5-4-6-16(11-15)25-2/h4-12,18H,3H2,1-2H3,(H,20,21,23)
InChIKeyLQXAGGCFNOVNJT-UHFFFAOYSA-N
XLogP3.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4121049) is 5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CCc1ccc(C2=CC(c3cccc(OC)c3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is LQXAGGCFNOVNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-3-13-7-9-14(10-8-13)17-12-18(24-19(20-17)21-22-23-24)15-5-4-6-16(11-15)25-2/h4-12,18H,3H2,1-2H3,(H,20,21,23).
What are the key properties of 5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 333.40 g/mol, XLogP of 3.30, 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-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4121049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).