7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine

C17H13F2N5O — CID 75633887

IUPAC7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(C2CC(c3ccccc3)=Nc3nnnn32)cc1
InChIInChI=1S/C17H13F2N5O/c18-16(19)25-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)20-17-21-22-23-24(15)17/h1-9,15-16H,10H2
InChIKeyXXAOGSYUJMFETM-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.39
Rot. Bonds4

About 7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine

7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 75633887) has the molecular formula C17H13F2N5O and a molecular weight of 341.32 g/mol. Its IUPAC name is 7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID75633887
Molecular FormulaC17H13F2N5O
Molecular Weight341.32 g/mol
Exact Mass341.11
IUPAC Name7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(C2CC(c3ccccc3)=Nc3nnnn32)cc1
InChIInChI=1S/C17H13F2N5O/c18-16(19)25-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)20-17-21-22-23-24(15)17/h1-9,15-16H,10H2
InChIKeyXXAOGSYUJMFETM-UHFFFAOYSA-N
XLogP3.39
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-((1-benzyl-1H-tetrazol-5-yl)(4-(difluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158590
1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159046
7-(4-Methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 404637
5-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-tetrazole
CID 892565
7-(4-Fluorophenyl)-5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2921170
5-(4-Methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 4609081
1-Ethyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 16192914
1-Isopropyl-5-(4-methoxy-phenyl)-1H-tetrazole
CID 805273
1-Cyclopentyl-4-{(4-fluoro-phenyl)-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-piperazine
CID 648492
5-(4-Methoxyphenyl)-7-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 662184
5-(4-Methoxyphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 5192991
1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360441

Frequently Asked Questions

What is the IUPAC name of 7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 75633887) is 7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine is FC(F)Oc1ccc(C2CC(c3ccccc3)=Nc3nnnn32)cc1.
What is the InChIKey of 7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is XXAOGSYUJMFETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O/c18-16(19)25-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)20-17-21-22-23-24(15)17/h1-9,15-16H,10H2.
What are the key properties of 7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 341.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(difluoromethoxy)phenyl]-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75633887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).