5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole

C12H16N4 — CID 67555951

IUPAC5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
SMILESCC(C)(C)Cc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C12H16N4/c1-12(2,3)8-9-6-4-5-7-10(9)11-13-15-16-14-11/h4-7H,8H2,1-3H3,(H,13,14,15,16)
InChIKeyXJRDVRHVLYQPEI-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.46
Rot. Bonds2

About 5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole

5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole (PubChem CID 67555951) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
PubChem CID67555951
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
SMILESCC(C)(C)Cc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C12H16N4/c1-12(2,3)8-9-6-4-5-7-10(9)11-13-15-16-14-11/h4-7H,8H2,1-3H3,(H,13,14,15,16)
InChIKeyXJRDVRHVLYQPEI-UHFFFAOYSA-N
XLogP2.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 157133438
2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine
CID 54378868
5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine
CID 159487729
4-[2-(2,2-dimethylpropyl)phenyl]pyridine
CID 155206969
1-[1-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenyl]methyl]-1,2,4-triazol-3-yl]ethane-1,1-dithiol
CID 139834987
2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 29029237
1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane
CID 161201714
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)phenyl]-1-thiophen-2-ylethanamine
CID 68648309
5-[2-(difluoromethoxy)phenyl]-2H-tetrazole
CID 7017704
(3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide
CID 95246521

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole (CID 67555951) is 5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole is CC(C)(C)Cc1ccccc1-c1nn[nH]n1.
What is the InChIKey of 5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole?
The InChIKey is XJRDVRHVLYQPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(2,3)8-9-6-4-5-7-10(9)11-13-15-16-14-11/h4-7H,8H2,1-3H3,(H,13,14,15,16).
What are the key properties of 5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole?
5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole has a molecular weight of 216.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 67555951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).