2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone

C7H10N4O — CID 130905535

IUPAC2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(C(=O)CC2CC2)n1
InChIInChI=1S/C7H10N4O/c1-11-9-7(8-10-11)6(12)4-5-2-3-5/h5H,2-4H2,1H3
InChIKeyNCYFOTXPIFFQOG-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.19
Rot. Bonds3

About 2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone

2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone (PubChem CID 130905535) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone
PubChem CID130905535
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(C(=O)CC2CC2)n1
InChIInChI=1S/C7H10N4O/c1-11-9-7(8-10-11)6(12)4-5-2-3-5/h5H,2-4H2,1H3
InChIKeyNCYFOTXPIFFQOG-UHFFFAOYSA-N
XLogP0.19
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone 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 2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone (CID 130905535) is 2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(C(=O)CC2CC2)n1.
What is the InChIKey of 2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is NCYFOTXPIFFQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-11-9-7(8-10-11)6(12)4-5-2-3-5/h5H,2-4H2,1H3.
What are the key properties of 2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone?
2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 166.18 g/mol, XLogP of 0.19, 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)ethanone is sourced from PubChem (CID 130905535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).