7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine

C18H17N5O2 — CID 91899145

IUPAC7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=Nc3nnnn3C(c3cccc(OC)c3)C2)cc1
InChIInChI=1S/C18H17N5O2/c1-24-14-8-6-12(7-9-14)16-11-17(23-18(19-16)20-21-22-23)13-4-3-5-15(10-13)25-2/h3-10,17H,11H2,1-2H3
InChIKeyYPUIBFCJZPUCJO-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.80
Rot. Bonds4

About 7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 91899145) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID91899145
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=Nc3nnnn3C(c3cccc(OC)c3)C2)cc1
InChIInChI=1S/C18H17N5O2/c1-24-14-8-6-12(7-9-14)16-11-17(23-18(19-16)20-21-22-23)13-4-3-5-15(10-13)25-2/h3-10,17H,11H2,1-2H3
InChIKeyYPUIBFCJZPUCJO-UHFFFAOYSA-N
XLogP2.80
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 91899145) is 7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2=Nc3nnnn3C(c3cccc(OC)c3)C2)cc1.
What is the InChIKey of 7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is YPUIBFCJZPUCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-24-14-8-6-12(7-9-14)16-11-17(23-18(19-16)20-21-22-23)13-4-3-5-15(10-13)25-2/h3-10,17H,11H2,1-2H3.
What are the key properties of 7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 335.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91899145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).