2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one

C8H12N4O — CID 130992602

IUPAC2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCC(C(=O)c1nnn(C)n1)C1CC1
InChIInChI=1S/C8H12N4O/c1-5(6-3-4-6)7(13)8-9-11-12(2)10-8/h5-6H,3-4H2,1-2H3
InChIKeyHWKXLIREBRHFIL-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.44
Rot. Bonds3

About 2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one

2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one (PubChem CID 130992602) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one
PubChem CID130992602
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCC(C(=O)c1nnn(C)n1)C1CC1
InChIInChI=1S/C8H12N4O/c1-5(6-3-4-6)7(13)8-9-11-12(2)10-8/h5-6H,3-4H2,1-2H3
InChIKeyHWKXLIREBRHFIL-UHFFFAOYSA-N
XLogP0.44
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-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

1-Cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone
CID 11378701
3-Methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one
CID 137470716
2-Cyclopropyl-3-(2-methyltetrazol-5-yl)propanal
CID 175249609
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044506
4-Methyl-3-[(2-methyltetrazol-5-yl)methyl]pentan-2-one
CID 107044536
1-Cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one
CID 107044538
2-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044540
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
3-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047052
1-Cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047092
1-(2-Methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047175
1-(1-Methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047335

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one (CID 130992602) is 2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one is CC(C(=O)c1nnn(C)n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one?
The InChIKey is HWKXLIREBRHFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5(6-3-4-6)7(13)8-9-11-12(2)10-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one?
2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one has a molecular weight of 180.21 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-methyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 130992602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).