5-methyl-1-(2,4,6-trimethylphenyl)tetrazole

C11H14N4 — CID 91441671

IUPAC5-methyl-1-(2,4,6-trimethylphenyl)tetrazole
SMILESCc1cc(C)c(-n2nnnc2C)c(C)c1
InChIInChI=1S/C11H14N4/c1-7-5-8(2)11(9(3)6-7)15-10(4)12-13-14-15/h5-6H,1-4H3
InChIKeyPTCRCMINPZBTGI-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.90
Rot. Bonds1

About 5-methyl-1-(2,4,6-trimethylphenyl)tetrazole

5-methyl-1-(2,4,6-trimethylphenyl)tetrazole (PubChem CID 91441671) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-methyl-1-(2,4,6-trimethylphenyl)tetrazole.

Molecular Properties

Compound Name5-methyl-1-(2,4,6-trimethylphenyl)tetrazole
PubChem CID91441671
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-methyl-1-(2,4,6-trimethylphenyl)tetrazole
SMILESCc1cc(C)c(-n2nnnc2C)c(C)c1
InChIInChI=1S/C11H14N4/c1-7-5-8(2)11(9(3)6-7)15-10(4)12-13-14-15/h5-6H,1-4H3
InChIKeyPTCRCMINPZBTGI-UHFFFAOYSA-N
XLogP1.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole
CID 144718344
3-methyl-4-(5-methyltetrazol-1-yl)aniline
CID 3186687
5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
CID 62797360
2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid
CID 63653713
3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
CID 39247652
3-fluoro-5-(5-methyltetrazol-1-yl)aniline
CID 107335280
N-(4-propan-2-ylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2810448
N-(2-phenylethyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4211934
1-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103086418
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366580
N-(2-chloro-5-methylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11574920

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,4,6-trimethylphenyl)tetrazole?
The IUPAC name of 5-methyl-1-(2,4,6-trimethylphenyl)tetrazole (CID 91441671) is 5-methyl-1-(2,4,6-trimethylphenyl)tetrazole.
What is the SMILES notation for 5-methyl-1-(2,4,6-trimethylphenyl)tetrazole?
The canonical SMILES for 5-methyl-1-(2,4,6-trimethylphenyl)tetrazole is Cc1cc(C)c(-n2nnnc2C)c(C)c1.
What is the InChIKey of 5-methyl-1-(2,4,6-trimethylphenyl)tetrazole?
The InChIKey is PTCRCMINPZBTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-7-5-8(2)11(9(3)6-7)15-10(4)12-13-14-15/h5-6H,1-4H3.
What are the key properties of 5-methyl-1-(2,4,6-trimethylphenyl)tetrazole?
5-methyl-1-(2,4,6-trimethylphenyl)tetrazole has a molecular weight of 202.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,4,6-trimethylphenyl)tetrazole is sourced from PubChem (CID 91441671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).