7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine

C17H15N5O — CID 75663939

IUPAC7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1C1CC(c2ccccc2)=Nc2nnnn21
InChIInChI=1S/C17H15N5O/c1-23-16-10-6-5-9-13(16)15-11-14(12-7-3-2-4-8-12)18-17-19-20-21-22(15)17/h2-10,15H,11H2,1H3
InChIKeyAJPBTASTUVDVNV-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.80
Rot. Bonds3

About 7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 75663939) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID75663939
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1C1CC(c2ccccc2)=Nc2nnnn21
InChIInChI=1S/C17H15N5O/c1-23-16-10-6-5-9-13(16)15-11-14(12-7-3-2-4-8-12)18-17-19-20-21-22(15)17/h2-10,15H,11H2,1H3
InChIKeyAJPBTASTUVDVNV-UHFFFAOYSA-N
XLogP2.80
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640097
5-(4-bromophenyl)-7-(2,5-dimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640123
5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75637505
7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 91899145
3-(2-methoxyphenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
CID 3283633
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
(3R)-2-(benzenesulfonyl)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120948
5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75634953
4-[5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 75637357
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7411218
7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640847
(5S,10bS)-5-(2-methoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7065360

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 75663939) is 7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccccc1C1CC(c2ccccc2)=Nc2nnnn21.
What is the InChIKey of 7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is AJPBTASTUVDVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-23-16-10-6-5-9-13(16)15-11-14(12-7-3-2-4-8-12)18-17-19-20-21-22(15)17/h2-10,15H,11H2,1H3.
What are the key properties of 7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 305.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75663939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).