1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone

C12H14N4O — CID 107063250

IUPAC1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCc1cccc(C(=O)Cc2nnn(C)n2)c1C
InChIInChI=1S/C12H14N4O/c1-8-5-4-6-10(9(8)2)11(17)7-12-13-15-16(3)14-12/h4-6H,7H2,1-3H3
InChIKeyFFBPBFNZURNARM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.25
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063250) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063250
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCc1cccc(C(=O)Cc2nnn(C)n2)c1C
InChIInChI=1S/C12H14N4O/c1-8-5-4-6-10(9(8)2)11(17)7-12-13-15-16(3)14-12/h4-6H,7H2,1-3H3
InChIKeyFFBPBFNZURNARM-UHFFFAOYSA-N
XLogP1.25
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873
2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone
CID 107046984
1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063619
1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047405
1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063336
1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 115793097
2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 107063462
1-(1-benzothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063264
1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063556
1-(4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047055
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
2,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 68880752

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063250) is 1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone is Cc1cccc(C(=O)Cc2nnn(C)n2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is FFBPBFNZURNARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-5-4-6-10(9(8)2)11(17)7-12-13-15-16(3)14-12/h4-6H,7H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 230.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).