7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C18H17N5O — CID 662134

IUPAC7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCOc1ccc(C2C=C(c3ccccc3)Nc3nnnn32)cc1
InChIInChI=1S/C18H17N5O/c1-2-24-15-10-8-14(9-11-15)17-12-16(13-6-4-3-5-7-13)19-18-20-21-22-23(17)18/h3-12,17H,2H2,1H3,(H,19,20,22)
InChIKeyLZCUZWNNFPAJLV-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.13
Rot. Bonds4

About 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 662134) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID662134
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCOc1ccc(C2C=C(c3ccccc3)Nc3nnnn32)cc1
InChIInChI=1S/C18H17N5O/c1-2-24-15-10-8-14(9-11-15)17-12-16(13-6-4-3-5-7-13)19-18-20-21-22-23(17)18/h3-12,17H,2H2,1H3,(H,19,20,22)
InChIKeyLZCUZWNNFPAJLV-UHFFFAOYSA-N
XLogP3.13
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 662134) is 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CCOc1ccc(C2C=C(c3ccccc3)Nc3nnnn32)cc1.
What is the InChIKey of 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is LZCUZWNNFPAJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-2-24-15-10-8-14(9-11-15)17-12-16(13-6-4-3-5-7-13)19-18-20-21-22-23(17)18/h3-12,17H,2H2,1H3,(H,19,20,22).
What are the key properties of 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 319.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 662134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).