cyclopropyl-(2-methyltetrazol-5-yl)methanone

C6H8N4O — CID 130992606

IUPACcyclopropyl-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2CC2)n1
InChIInChI=1S/C6H8N4O/c1-10-8-6(7-9-10)5(11)4-2-3-4/h4H,2-3H2,1H3
InChIKeyOCLPXLKJXMCCJY-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.20
Rot. Bonds2

About cyclopropyl-(2-methyltetrazol-5-yl)methanone

cyclopropyl-(2-methyltetrazol-5-yl)methanone (PubChem CID 130992606) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is cyclopropyl-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-methyltetrazol-5-yl)methanone
PubChem CID130992606
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Namecyclopropyl-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2CC2)n1
InChIInChI=1S/C6H8N4O/c1-10-8-6(7-9-10)5(11)4-2-3-4/h4H,2-3H2,1H3
InChIKeyOCLPXLKJXMCCJY-UHFFFAOYSA-N
XLogP-0.20
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-(2-methyltetrazol-5-yl)methanone 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 cyclopropyl-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of cyclopropyl-(2-methyltetrazol-5-yl)methanone (CID 130992606) is cyclopropyl-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for cyclopropyl-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for cyclopropyl-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)C2CC2)n1.
What is the InChIKey of cyclopropyl-(2-methyltetrazol-5-yl)methanone?
The InChIKey is OCLPXLKJXMCCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-10-8-6(7-9-10)5(11)4-2-3-4/h4H,2-3H2,1H3.
What are the key properties of cyclopropyl-(2-methyltetrazol-5-yl)methanone?
cyclopropyl-(2-methyltetrazol-5-yl)methanone has a molecular weight of 152.16 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 130992606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).