2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one

C7H12N4O — CID 130905791

IUPAC2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnc(C(=O)C(C)(C)C)n1
InChIInChI=1S/C7H12N4O/c1-7(2,3)5(12)6-8-10-11(4)9-6/h1-4H3
InChIKeyVGFUOLQEHLSEIL-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.44
Rot. Bonds1

About 2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one

2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one (PubChem CID 130905791) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one
PubChem CID130905791
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnc(C(=O)C(C)(C)C)n1
InChIInChI=1S/C7H12N4O/c1-7(2,3)5(12)6-8-10-11(4)9-6/h1-4H3
InChIKeyVGFUOLQEHLSEIL-UHFFFAOYSA-N
XLogP0.44
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-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

2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-one
CID 283976
3,3,3-Trifluoro-2,2-dimethyl-1-(2-methyl-2h-1,2,3,4-tetrazol-5-yl)propan-1-one
CID 164652778
3,3-Dimethyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 11816240
1-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)ethan-1-one
CID 45085223
1-(2-Methyltetrazol-5-yl)propan-2-one
CID 45085583
3-(2-Methyltetrazol-5-yl)butan-2-one
CID 57907385
2-Methyl-1-(2-methyltetrazol-5-yl)propan-1-one
CID 68374744
3,3-Dimethyl-4-(2-methyltetrazol-5-yl)butan-2-one
CID 69535159
1-(2-Ethyltetrazol-5-yl)ethanone
CID 84762601
1-[2-(2-Methylpropyl)tetrazol-5-yl]ethanone
CID 84765418
1-(5-Tert-butyltetrazol-2-yl)propan-2-one
CID 90145720
1-[5-(2,2-Dimethylpropyl)tetrazol-2-yl]propan-2-one
CID 134572277

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one (CID 130905791) is 2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one is Cn1nnc(C(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one?
The InChIKey is VGFUOLQEHLSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-7(2,3)5(12)6-8-10-11(4)9-6/h1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one?
2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one has a molecular weight of 168.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 130905791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).