N-benzyl-1-prop-2-enyltetrazol-5-amine

C11H13N5 — CID 4726332

IUPACN-benzyl-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1ccccc1
InChIInChI=1S/C11H13N5/c1-2-8-16-11(13-14-15-16)12-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,12,13,15)
InChIKeyLSOYFRYWEQMLLE-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.47
Rot. Bonds5

About N-benzyl-1-prop-2-enyltetrazol-5-amine

N-benzyl-1-prop-2-enyltetrazol-5-amine (PubChem CID 4726332) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is N-benzyl-1-prop-2-enyltetrazol-5-amine.

Molecular Properties

Compound NameN-benzyl-1-prop-2-enyltetrazol-5-amine
PubChem CID4726332
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC NameN-benzyl-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1ccccc1
InChIInChI=1S/C11H13N5/c1-2-8-16-11(13-14-15-16)12-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,12,13,15)
InChIKeyLSOYFRYWEQMLLE-UHFFFAOYSA-N
XLogP1.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-benzyl-1-prop-2-enyltetrazol-5-amine 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 N-benzyl-1-prop-2-enyltetrazol-5-amine?
The IUPAC name of N-benzyl-1-prop-2-enyltetrazol-5-amine (CID 4726332) is N-benzyl-1-prop-2-enyltetrazol-5-amine.
What is the SMILES notation for N-benzyl-1-prop-2-enyltetrazol-5-amine?
The canonical SMILES for N-benzyl-1-prop-2-enyltetrazol-5-amine is C=CCn1nnnc1NCc1ccccc1.
What is the InChIKey of N-benzyl-1-prop-2-enyltetrazol-5-amine?
The InChIKey is LSOYFRYWEQMLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-8-16-11(13-14-15-16)12-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,12,13,15).
What are the key properties of N-benzyl-1-prop-2-enyltetrazol-5-amine?
N-benzyl-1-prop-2-enyltetrazol-5-amine has a molecular weight of 215.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-prop-2-enyltetrazol-5-amine is sourced from PubChem (CID 4726332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).