5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole

C23H30N4 — CID 3739683

IUPAC5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole
SMILESCC(C)(C)c1ccc(Cn2nnc(Cc3cccc(C(C)(C)C)c3)n2)cc1
InChIInChI=1S/C23H30N4/c1-22(2,3)19-12-10-17(11-13-19)16-27-25-21(24-26-27)15-18-8-7-9-20(14-18)23(4,5)6/h7-14H,15-16H2,1-6H3
InChIKeyKTEQDJFNZPTRFS-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.91
Rot. Bonds4

About 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole

5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole (PubChem CID 3739683) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole
PubChem CID3739683
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC Name5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole
SMILESCC(C)(C)c1ccc(Cn2nnc(Cc3cccc(C(C)(C)C)c3)n2)cc1
InChIInChI=1S/C23H30N4/c1-22(2,3)19-12-10-17(11-13-19)16-27-25-21(24-26-27)15-18-8-7-9-20(14-18)23(4,5)6/h7-14H,15-16H2,1-6H3
InChIKeyKTEQDJFNZPTRFS-UHFFFAOYSA-N
XLogP4.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-5-(2,2-dimethylpropyl)tetrazole
CID 69033394
5-[(3-tert-butylphenyl)methyl]-2H-tetrazole
CID 176700607
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 7490330
3-[[5-[[2-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]tetrazol-5-yl]methyl]tetrazol-2-yl]methyl]benzoic acid
CID 155193907
(5-benzyltetrazol-2-yl)methanol
CID 13081003
4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one
CID 155960924
4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid
CID 162138087
tert-butyl 3-[[5-[[2-(2-hydroxycycloprop-2-en-1-yl)tetrazol-5-yl]methyl]tetrazol-2-yl]methyl]benzoate
CID 155204595
2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole
CID 175731684
5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole
CID 71031122
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
8-chloro-3-propyl-1-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-2-yl]propyl]-7H-purine-2,6-dione
CID 59395873

Frequently Asked Questions

What is the IUPAC name of 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole?
The IUPAC name of 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole (CID 3739683) is 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole?
The canonical SMILES for 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole is CC(C)(C)c1ccc(Cn2nnc(Cc3cccc(C(C)(C)C)c3)n2)cc1.
What is the InChIKey of 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole?
The InChIKey is KTEQDJFNZPTRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-22(2,3)19-12-10-17(11-13-19)16-27-25-21(24-26-27)15-18-8-7-9-20(14-18)23(4,5)6/h7-14H,15-16H2,1-6H3.
What are the key properties of 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole?
5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole has a molecular weight of 362.52 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole is sourced from PubChem (CID 3739683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).