1-[4-(2-methylpropyl)phenyl]tetrazole

C11H14N4 — CID 153454015

IUPAC1-[4-(2-methylpropyl)phenyl]tetrazole
SMILESCC(C)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H14N4/c1-9(2)7-10-3-5-11(6-4-10)15-8-12-13-14-15/h3-6,8-9H,7H2,1-2H3
InChIKeyWGUKCPVAVVSHDT-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.86
Rot. Bonds3

About 1-[4-(2-methylpropyl)phenyl]tetrazole

1-[4-(2-methylpropyl)phenyl]tetrazole (PubChem CID 153454015) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]tetrazole
PubChem CID153454015
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-[4-(2-methylpropyl)phenyl]tetrazole
SMILESCC(C)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H14N4/c1-9(2)7-10-3-5-11(6-4-10)15-8-12-13-14-15/h3-6,8-9H,7H2,1-2H3
InChIKeyWGUKCPVAVVSHDT-UHFFFAOYSA-N
XLogP1.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
CID 124637262
1-(4-fluorophenyl)tetrazole
CID 825628
4-(tetrazol-1-yl)phenolate
CID 101371881
2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 119198737
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 46795458
(4-propan-2-ylphenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 7500799
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 71847721
N-[2-(2-methylpropoxy)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55887932
4-(tetrazol-1-yl)benzaldehyde
CID 55266152

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]tetrazole?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]tetrazole (CID 153454015) is 1-[4-(2-methylpropyl)phenyl]tetrazole.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]tetrazole?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]tetrazole is CC(C)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]tetrazole?
The InChIKey is WGUKCPVAVVSHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9(2)7-10-3-5-11(6-4-10)15-8-12-13-14-15/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]tetrazole?
1-[4-(2-methylpropyl)phenyl]tetrazole has a molecular weight of 202.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]tetrazole is sourced from PubChem (CID 153454015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).