2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole

C15H13ClN4 — CID 7465674

IUPAC2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnn(Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C15H13ClN4/c1-11-5-7-13(8-6-11)15-17-19-20(18-15)10-12-3-2-4-14(16)9-12/h2-9H,10H2,1H3
InChIKeyULGMHIQMDBVTPV-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.35
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole

2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole (PubChem CID 7465674) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
PubChem CID7465674
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnn(Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C15H13ClN4/c1-11-5-7-13(8-6-11)15-17-19-20(18-15)10-12-3-2-4-14(16)9-12/h2-9H,10H2,1H3
InChIKeyULGMHIQMDBVTPV-UHFFFAOYSA-N
XLogP3.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665
(3-chlorophenyl)methyl 4-[2-[(3-chlorophenyl)methyl]tetrazol-5-yl]benzoate
CID 4917938
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 55411399
5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
CID 7702797
5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
CID 7490709
4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine
CID 7465712
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103
3-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 119053622
N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 17478597
5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole
CID 7276493
5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 47014414

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole (CID 7465674) is 2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole is Cc1ccc(-c2nnn(Cc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole?
The InChIKey is ULGMHIQMDBVTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-11-5-7-13(8-6-11)15-17-19-20(18-15)10-12-3-2-4-14(16)9-12/h2-9H,10H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole?
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole has a molecular weight of 284.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole is sourced from PubChem (CID 7465674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).