1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one

C9H14N4O — CID 107063573

IUPAC1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2CCC2)n1
InChIInChI=1S/C9H14N4O/c1-13-11-9(10-12-13)6-8(14)5-7-3-2-4-7/h7H,2-6H2,1H3
InChIKeySECZLMWOUFESGA-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.51
Rot. Bonds4

About 1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one

1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107063573) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107063573
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2CCC2)n1
InChIInChI=1S/C9H14N4O/c1-13-11-9(10-12-13)6-8(14)5-7-3-2-4-7/h7H,2-6H2,1H3
InChIKeySECZLMWOUFESGA-UHFFFAOYSA-N
XLogP0.51
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclobutyl-3-(2-methyltetrazol-5-yl)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

2-[2-(2-Ethyl-2h-tetrazol-5-yl)acetyl]cyclohexane-1,3-dione
CID 163183551
2-(2-Methyltetrazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 107063267
2-(2-Methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 107063318
1-(4,4-Difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063622
2-(2-Methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 113912001
1-Cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone
CID 11378701
2-[(5-Methyltetrazol-2-yl)methyl]cyclohexan-1-one
CID 59088662
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044506
2-[(2-Methyltetrazol-5-yl)methyl]cyclopentan-1-one
CID 107044512
2-[(2-Methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044514
2-[(2-Methyltetrazol-5-yl)methyl]cycloheptan-1-one
CID 107044521
4-Methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044523

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107063573) is 1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one is Cn1nnc(CC(=O)CC2CCC2)n1.
What is the InChIKey of 1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is SECZLMWOUFESGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-11-9(10-12-13)6-8(14)5-7-3-2-4-7/h7H,2-6H2,1H3.
What are the key properties of 1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one?
1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 194.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107063573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).