1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone

C11H12N4O — CID 107046873

IUPAC1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCc1ccccc1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H12N4O/c1-8-5-3-4-6-9(8)10(16)7-11-12-14-15(2)13-11/h3-6H,7H2,1-2H3
InChIKeyVFMZLLFWZRRGOB-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.94
Rot. Bonds3

About 1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107046873) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107046873
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCc1ccccc1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H12N4O/c1-8-5-3-4-6-9(8)10(16)7-11-12-14-15(2)13-11/h3-6H,7H2,1-2H3
InChIKeyVFMZLLFWZRRGOB-UHFFFAOYSA-N
XLogP0.94
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088
2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone
CID 107046984
1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047405
1-(5-bromo-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063415
1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063619
2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 107063462
1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063527
1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063556
1,2-bis(2-methylphenyl)ethanone
CID 11345119
1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047688
1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107061734

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107046873) is 1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone is Cc1ccccc1C(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is VFMZLLFWZRRGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-5-3-4-6-9(8)10(16)7-11-12-14-15(2)13-11/h3-6H,7H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107046873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).