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

C18H15F2N5O2 — CID 4639202

IUPAC5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1C1C=C(c2ccc(OC(F)F)cc2)Nc2nnnn21
InChIInChI=1S/C18H15F2N5O2/c1-26-16-5-3-2-4-13(16)15-10-14(21-18-22-23-24-25(15)18)11-6-8-12(9-7-11)27-17(19)20/h2-10,15,17H,1H3,(H,21,22,24)
InChIKeyQBHTUZHLTATYGB-UHFFFAOYSA-N
MW371.35 g/mol
LogP3.34
Rot. Bonds5

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

5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4639202) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4639202
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1C1C=C(c2ccc(OC(F)F)cc2)Nc2nnnn21
InChIInChI=1S/C18H15F2N5O2/c1-26-16-5-3-2-4-13(16)15-10-14(21-18-22-23-24-25(15)18)11-6-8-12(9-7-11)27-17(19)20/h2-10,15,17H,1H3,(H,21,22,24)
InChIKeyQBHTUZHLTATYGB-UHFFFAOYSA-N
XLogP3.34
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4639202) is 5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccccc1C1C=C(c2ccc(OC(F)F)cc2)Nc2nnnn21.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is QBHTUZHLTATYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c1-26-16-5-3-2-4-13(16)15-10-14(21-18-22-23-24-25(15)18)11-6-8-12(9-7-11)27-17(19)20/h2-10,15,17H,1H3,(H,21,22,24).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 371.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4639202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).