2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide

C11H14N6O — CID 177376610

IUPAC2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide
SMILESNCC(=O)NCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C11H14N6O/c12-8-10(18)13-6-7-17-15-11(14-16-17)9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,18)
InChIKeyGLDSNMYUKDHOOD-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.58
Rot. Bonds5

About 2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide

2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide (PubChem CID 177376610) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide
PubChem CID177376610
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide
SMILESNCC(=O)NCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C11H14N6O/c12-8-10(18)13-6-7-17-15-11(14-16-17)9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,18)
InChIKeyGLDSNMYUKDHOOD-UHFFFAOYSA-N
XLogP-0.58
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide (CID 177376610) is 2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide is NCC(=O)NCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide?
The InChIKey is GLDSNMYUKDHOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c12-8-10(18)13-6-7-17-15-11(14-16-17)9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,18).
What are the key properties of 2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide?
2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide has a molecular weight of 246.27 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-phenyltetrazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 177376610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).