5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C17H17N5O — CID 4609081

IUPAC5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CC(c3ccccc3)n3nnnc3N2)cc1
InChIInChI=1S/C17H17N5O/c1-23-14-9-7-12(8-10-14)15-11-16(13-5-3-2-4-6-13)22-17(18-15)19-20-21-22/h2-10,15-16H,11H2,1H3,(H,18,19,21)
InChIKeyORNSWOUUPNRXFL-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.83
Rot. Bonds3

About 5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4609081) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID4609081
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CC(c3ccccc3)n3nnnc3N2)cc1
InChIInChI=1S/C17H17N5O/c1-23-14-9-7-12(8-10-14)15-11-16(13-5-3-2-4-6-13)22-17(18-15)19-20-21-22/h2-10,15-16H,11H2,1H3,(H,18,19,21)
InChIKeyORNSWOUUPNRXFL-UHFFFAOYSA-N
XLogP2.83
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 4609081) is 5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2CC(c3ccccc3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is ORNSWOUUPNRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-23-14-9-7-12(8-10-14)15-11-16(13-5-3-2-4-6-13)22-17(18-15)19-20-21-22/h2-10,15-16H,11H2,1H3,(H,18,19,21).
What are the key properties of 5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 307.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4609081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).