2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine

C13H17N5 — CID 63080580

IUPAC2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1C1(c2ccccc2)CCC1
InChIInChI=1S/C13H17N5/c14-9-10-18-12(15-16-17-18)13(7-4-8-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2
InChIKeyZVAWCZPCXPXJAB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.10
Rot. Bonds4

About 2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine

2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine (PubChem CID 63080580) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine
PubChem CID63080580
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1C1(c2ccccc2)CCC1
InChIInChI=1S/C13H17N5/c14-9-10-18-12(15-16-17-18)13(7-4-8-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2
InChIKeyZVAWCZPCXPXJAB-UHFFFAOYSA-N
XLogP1.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine 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-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine (CID 63080580) is 2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine is NCCn1nnnc1C1(c2ccccc2)CCC1.
What is the InChIKey of 2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine?
The InChIKey is ZVAWCZPCXPXJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-9-10-18-12(15-16-17-18)13(7-4-8-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2.
What are the key properties of 2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine?
2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 63080580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).