3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one

C10H18N4O — CID 137470755

IUPAC3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one
SMILESCC(C)Cn1nnc(CC(=O)C(C)C)n1
InChIInChI=1S/C10H18N4O/c1-7(2)6-14-12-10(11-13-14)5-9(15)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyXJKSOOIXJOHXKS-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.10
Rot. Bonds5

About 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one

3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one (PubChem CID 137470755) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one
PubChem CID137470755
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one
SMILESCC(C)Cn1nnc(CC(=O)C(C)C)n1
InChIInChI=1S/C10H18N4O/c1-7(2)6-14-12-10(11-13-14)5-9(15)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyXJKSOOIXJOHXKS-UHFFFAOYSA-N
XLogP1.10
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-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

4,4,4-Trifluoro-1-(2-methyltetrazol-5-yl)-3-(trifluoromethyl)butan-2-one
CID 113911972
1-Cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone
CID 11378701
3,3-Dimethyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 11816240
3-(2-Methyltetrazol-5-yl)butan-2-one
CID 57907385
1-(2-Tert-butyltetrazol-5-yl)-3,3-dimethylbutan-2-one
CID 58297305
1-(2-Ethyltetrazol-5-yl)propan-2-one
CID 84763480
1-(2-Methyltetrazol-5-yl)butan-2-one
CID 107046878
1-[5-(2,2-Dimethylpropyl)tetrazol-2-yl]propan-2-one
CID 134572277
3-Methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one
CID 137470716
3-Methyl-1-(2-propyltetrazol-5-yl)butan-2-one
CID 137470757
2-Methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one
CID 140915665
Ethane;1-(2-ethyltetrazol-5-yl)propan-2-one
CID 145288441

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one?
The IUPAC name of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one (CID 137470755) is 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one?
The canonical SMILES for 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one is CC(C)Cn1nnc(CC(=O)C(C)C)n1.
What is the InChIKey of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one?
The InChIKey is XJKSOOIXJOHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)6-14-12-10(11-13-14)5-9(15)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one?
3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one is sourced from PubChem (CID 137470755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).