5-(4-propan-2-ylphenyl)-2H-tetrazole

C10H12N4 — CID 858905

IUPAC5-(4-propan-2-ylphenyl)-2H-tetrazole
SMILESCC(C)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H12N4/c1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10/h3-7H,1-2H3,(H,11,12,13,14)
InChIKeySZGJVSUTMOTAIB-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.99
Rot. Bonds2

About 5-(4-propan-2-ylphenyl)-2H-tetrazole

5-(4-propan-2-ylphenyl)-2H-tetrazole (PubChem CID 858905) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-2H-tetrazole
PubChem CID858905
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name5-(4-propan-2-ylphenyl)-2H-tetrazole
SMILESCC(C)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H12N4/c1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10/h3-7H,1-2H3,(H,11,12,13,14)
InChIKeySZGJVSUTMOTAIB-UHFFFAOYSA-N
XLogP1.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-1H-tetrazole
CID 87425
5-[3-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole
CID 706933
5-(4-Methylphenyl)-1H-tetrazole
CID 285164
5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole
CID 342565
5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole
CID 620220
5-(3-fluorophenyl)-2H-1,2,3,4-tetrazole
CID 333943
5-(2-methylphenyl)-2H-1,2,3,4-tetrazole
CID 583067
5,5'-(1,2-Phenylene)bis-1H-tetrazole
CID 788681
5-(4'-Methyl-1,1'-biphenyl-2-yl)-1H-tetrazole
CID 9794697
3-(Tetrazol-5-yl)phenylboronic acid
CID 46737996
5-(m-Tolyl)-1H-tetrazole
CID 583308
5-(2-fluorophenyl)-1H-1,2,3,4-tetrazole
CID 596275

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-2H-tetrazole?
The IUPAC name of 5-(4-propan-2-ylphenyl)-2H-tetrazole (CID 858905) is 5-(4-propan-2-ylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-2H-tetrazole is CC(C)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-2H-tetrazole?
The InChIKey is SZGJVSUTMOTAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10/h3-7H,1-2H3,(H,11,12,13,14).
What are the key properties of 5-(4-propan-2-ylphenyl)-2H-tetrazole?
5-(4-propan-2-ylphenyl)-2H-tetrazole has a molecular weight of 188.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-2H-tetrazole is sourced from PubChem (CID 858905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).