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

C20H21N5O3 — CID 135823275

IUPAC5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cc(OC)c(C2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1OC
InChIInChI=1S/C20H21N5O3/c1-12-5-7-13(8-6-12)15-10-16(25-20(21-15)22-23-24-25)14-9-18(27-3)19(28-4)11-17(14)26-2/h5-11,16H,1-4H3,(H,21,22,24)
InChIKeyHQIRYDXRXJMKDB-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.06
Rot. Bonds5

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

5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 135823275) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID135823275
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cc(OC)c(C2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1OC
InChIInChI=1S/C20H21N5O3/c1-12-5-7-13(8-6-12)15-10-16(25-20(21-15)22-23-24-25)14-9-18(27-3)19(28-4)11-17(14)26-2/h5-11,16H,1-4H3,(H,21,22,24)
InChIKeyHQIRYDXRXJMKDB-UHFFFAOYSA-N
XLogP3.06
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 135823275) is 5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1cc(OC)c(C2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1OC.
What is the InChIKey of 5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is HQIRYDXRXJMKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-5-7-13(8-6-12)15-10-16(25-20(21-15)22-23-24-25)14-9-18(27-3)19(28-4)11-17(14)26-2/h5-11,16H,1-4H3,(H,21,22,24).
What are the key properties of 5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 379.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135823275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).