N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine

C8H15N5 — CID 99990270

IUPACN-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine
SMILESC=Cn1nnnc1CN(CC)CC
InChIInChI=1S/C8H15N5/c1-4-12(5-2)7-8-9-10-11-13(8)6-3/h6H,3-5,7H2,1-2H3
InChIKeyVQDYBHMNPZJXDD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.62
Rot. Bonds5

About N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine

N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine (PubChem CID 99990270) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine
PubChem CID99990270
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine
SMILESC=Cn1nnnc1CN(CC)CC
InChIInChI=1S/C8H15N5/c1-4-12(5-2)7-8-9-10-11-13(8)6-3/h6H,3-5,7H2,1-2H3
InChIKeyVQDYBHMNPZJXDD-UHFFFAOYSA-N
XLogP0.62
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine 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-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine (CID 99990270) is N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine is C=Cn1nnnc1CN(CC)CC.
What is the InChIKey of N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine?
The InChIKey is VQDYBHMNPZJXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-4-12(5-2)7-8-9-10-11-13(8)6-3/h6H,3-5,7H2,1-2H3.
What are the key properties of N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine?
N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine has a molecular weight of 181.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenyltetrazol-5-yl)methyl]-N-ethylethanamine is sourced from PubChem (CID 99990270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).