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

C18H17N5O — CID 662149

IUPAC7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1C1C=C(c2ccc(C)cc2)Nc2nnnn21
InChIInChI=1S/C18H17N5O/c1-12-7-9-13(10-8-12)15-11-16(23-18(19-15)20-21-22-23)14-5-3-4-6-17(14)24-2/h3-11,16H,1-2H3,(H,19,20,22)
InChIKeyDXHCLZFIJIFBNJ-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.05
Rot. Bonds3

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

7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 662149) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID662149
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1C1C=C(c2ccc(C)cc2)Nc2nnnn21
InChIInChI=1S/C18H17N5O/c1-12-7-9-13(10-8-12)15-11-16(23-18(19-15)20-21-22-23)14-5-3-4-6-17(14)24-2/h3-11,16H,1-2H3,(H,19,20,22)
InChIKeyDXHCLZFIJIFBNJ-UHFFFAOYSA-N
XLogP3.05
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 662149) is 7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccccc1C1C=C(c2ccc(C)cc2)Nc2nnnn21.
What is the InChIKey of 7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is DXHCLZFIJIFBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-7-9-13(10-8-12)15-11-16(23-18(19-15)20-21-22-23)14-5-3-4-6-17(14)24-2/h3-11,16H,1-2H3,(H,19,20,22).
What are the key properties of 7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 319.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 662149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).