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

C10H18N4O — CID 137470716

IUPAC3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one
SMILESCC(C)CC(=O)c1nnn(CC(C)C)n1
InChIInChI=1S/C10H18N4O/c1-7(2)5-9(15)10-11-13-14(12-10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyAQXDZSWQFDPONW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.56
Rot. Bonds5

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

3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one (PubChem CID 137470716) 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-1-one.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one
PubChem CID137470716
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one
SMILESCC(C)CC(=O)c1nnn(CC(C)C)n1
InChIInChI=1S/C10H18N4O/c1-7(2)5-9(15)10-11-13-14(12-10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyAQXDZSWQFDPONW-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one (CID 137470716) is 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one is CC(C)CC(=O)c1nnn(CC(C)C)n1.
What is the InChIKey of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one?
The InChIKey is AQXDZSWQFDPONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)5-9(15)10-11-13-14(12-10)6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one?
3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one has a molecular weight of 210.28 g/mol, XLogP of 1.56, 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-1-one is sourced from PubChem (CID 137470716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).