7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C19H19N5O2 — CID 3319133

IUPAC7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccc(C)cc3)Nc3nnnn32)c(OC)c1
InChIInChI=1S/C19H19N5O2/c1-12-4-6-13(7-5-12)16-11-17(24-19(20-16)21-22-23-24)15-9-8-14(25-2)10-18(15)26-3/h4-11,17H,1-3H3,(H,20,21,23)
InChIKeyNIQFZORHDXRUQY-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.05
Rot. Bonds4

About 7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3319133) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3319133
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccc(C)cc3)Nc3nnnn32)c(OC)c1
InChIInChI=1S/C19H19N5O2/c1-12-4-6-13(7-5-12)16-11-17(24-19(20-16)21-22-23-24)15-9-8-14(25-2)10-18(15)26-3/h4-11,17H,1-3H3,(H,20,21,23)
InChIKeyNIQFZORHDXRUQY-UHFFFAOYSA-N
XLogP3.05
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3319133) is 7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2C=C(c3ccc(C)cc3)Nc3nnnn32)c(OC)c1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is NIQFZORHDXRUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-4-6-13(7-5-12)16-11-17(24-19(20-16)21-22-23-24)15-9-8-14(25-2)10-18(15)26-3/h4-11,17H,1-3H3,(H,20,21,23).
What are the key properties of 7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 349.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3319133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).