2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine

C12H15N5 — CID 172619680

IUPAC2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine
SMILESC=Cc1ccc(Cn2nnc(NCC)n2)cc1
InChIInChI=1S/C12H15N5/c1-3-10-5-7-11(8-6-10)9-17-15-12(13-4-2)14-16-17/h3,5-8H,1,4,9H2,2H3,(H,13,15)
InChIKeyARXFAUSDILWRKM-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.80
Rot. Bonds5

About 2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine

2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine (PubChem CID 172619680) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine
PubChem CID172619680
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine
SMILESC=Cc1ccc(Cn2nnc(NCC)n2)cc1
InChIInChI=1S/C12H15N5/c1-3-10-5-7-11(8-6-10)9-17-15-12(13-4-2)14-16-17/h3,5-8H,1,4,9H2,2H3,(H,13,15)
InChIKeyARXFAUSDILWRKM-UHFFFAOYSA-N
XLogP1.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine?
The IUPAC name of 2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine (CID 172619680) is 2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine.
What is the SMILES notation for 2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine?
The canonical SMILES for 2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine is C=Cc1ccc(Cn2nnc(NCC)n2)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine?
The InChIKey is ARXFAUSDILWRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-3-10-5-7-11(8-6-10)9-17-15-12(13-4-2)14-16-17/h3,5-8H,1,4,9H2,2H3,(H,13,15).
What are the key properties of 2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine?
2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine has a molecular weight of 229.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine is sourced from PubChem (CID 172619680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).