7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine

C16H10Cl2FN5 — CID 75640847

IUPAC7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=Nc3nnnn3C(c3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C16H10Cl2FN5/c17-12-6-3-10(7-13(12)18)15-8-14(9-1-4-11(19)5-2-9)20-16-21-22-23-24(15)16/h1-7,15H,8H2
InChIKeyYCRNPDXCXLDKLH-UHFFFAOYSA-N
MW362.20 g/mol
LogP4.23
Rot. Bonds2

About 7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 75640847) has the molecular formula C16H10Cl2FN5 and a molecular weight of 362.20 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID75640847
Molecular FormulaC16H10Cl2FN5
Molecular Weight362.20 g/mol
Exact Mass361.03
IUPAC Name7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=Nc3nnnn3C(c3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C16H10Cl2FN5/c17-12-6-3-10(7-13(12)18)15-8-14(9-1-4-11(19)5-2-9)20-16-21-22-23-24(15)16/h1-7,15H,8H2
InChIKeyYCRNPDXCXLDKLH-UHFFFAOYSA-N
XLogP4.23
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 75637357
5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 123530026
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
5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75634953
5,7-bis(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine
CID 139227223
7-(4-chlorophenyl)-5-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75634678
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732
7-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640097
7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75663939
5-(4-bromophenyl)-7-(2,5-dimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640123
(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7482196

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 75640847) is 7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine is Fc1ccc(C2=Nc3nnnn3C(c3ccc(Cl)c(Cl)c3)C2)cc1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is YCRNPDXCXLDKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN5/c17-12-6-3-10(7-13(12)18)15-8-14(9-1-4-11(19)5-2-9)20-16-21-22-23-24(15)16/h1-7,15H,8H2.
What are the key properties of 7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 362.20 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75640847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).