1-(3-methyl-4-propan-2-ylphenyl)tetrazole

C11H14N4 — CID 3832457

IUPAC1-(3-methyl-4-propan-2-ylphenyl)tetrazole
SMILESCc1cc(-n2cnnn2)ccc1C(C)C
InChIInChI=1S/C11H14N4/c1-8(2)11-5-4-10(6-9(11)3)15-7-12-13-14-15/h4-8H,1-3H3
InChIKeyYVCOYQKNYQSLND-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.09
Rot. Bonds2

About 1-(3-methyl-4-propan-2-ylphenyl)tetrazole

1-(3-methyl-4-propan-2-ylphenyl)tetrazole (PubChem CID 3832457) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(3-methyl-4-propan-2-ylphenyl)tetrazole.

Molecular Properties

Compound Name1-(3-methyl-4-propan-2-ylphenyl)tetrazole
PubChem CID3832457
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-(3-methyl-4-propan-2-ylphenyl)tetrazole
SMILESCc1cc(-n2cnnn2)ccc1C(C)C
InChIInChI=1S/C11H14N4/c1-8(2)11-5-4-10(6-9(11)3)15-7-12-13-14-15/h4-8H,1-3H3
InChIKeyYVCOYQKNYQSLND-UHFFFAOYSA-N
XLogP2.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyl-4-propan-2-ylphenyl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propan-2-ylphenyl)tetrazole?
The IUPAC name of 1-(3-methyl-4-propan-2-ylphenyl)tetrazole (CID 3832457) is 1-(3-methyl-4-propan-2-ylphenyl)tetrazole.
What is the SMILES notation for 1-(3-methyl-4-propan-2-ylphenyl)tetrazole?
The canonical SMILES for 1-(3-methyl-4-propan-2-ylphenyl)tetrazole is Cc1cc(-n2cnnn2)ccc1C(C)C.
What is the InChIKey of 1-(3-methyl-4-propan-2-ylphenyl)tetrazole?
The InChIKey is YVCOYQKNYQSLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(2)11-5-4-10(6-9(11)3)15-7-12-13-14-15/h4-8H,1-3H3.
What are the key properties of 1-(3-methyl-4-propan-2-ylphenyl)tetrazole?
1-(3-methyl-4-propan-2-ylphenyl)tetrazole has a molecular weight of 202.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propan-2-ylphenyl)tetrazole is sourced from PubChem (CID 3832457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).