1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one

C11H12N4O — CID 84784697

IUPAC1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C11H12N4O/c1-8(16)7-9-3-5-10(6-4-9)11-12-14-15(2)13-11/h3-6H,7H2,1-2H3
InChIKeyMLEHZTUOCPIJBN-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.01
Rot. Bonds3

About 1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one

1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one (PubChem CID 84784697) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one
PubChem CID84784697
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C11H12N4O/c1-8(16)7-9-3-5-10(6-4-9)11-12-14-15(2)13-11/h3-6H,7H2,1-2H3
InChIKeyMLEHZTUOCPIJBN-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one 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

4-[4-(2-methyltetrazol-5-yl)phenyl]butan-2-one
CID 22087183
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089
2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one
CID 84794333
N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 77089637
4-(2-methyltetrazol-5-yl)benzenesulfonyl chloride
CID 84806034
N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 75605546
5-(4-isocyanatophenyl)-2-methyltetrazole
CID 169353166
N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51048872
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51053045
N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 87539874
N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51053226

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one (CID 84784697) is 1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one is CC(=O)Cc1ccc(-c2nnn(C)n2)cc1.
What is the InChIKey of 1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one?
The InChIKey is MLEHZTUOCPIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8(16)7-9-3-5-10(6-4-9)11-12-14-15(2)13-11/h3-6H,7H2,1-2H3.
What are the key properties of 1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one?
1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one is sourced from PubChem (CID 84784697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).