2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide

C12H16N6O — CID 177376611

IUPAC2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide
SMILESNCC(=O)NCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H16N6O/c13-9-11(19)14-7-4-8-18-16-12(15-17-18)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,19)
InChIKeyRDHTZDOFBZABLX-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.19
Rot. Bonds6

About 2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide

2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide (PubChem CID 177376611) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide
PubChem CID177376611
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide
SMILESNCC(=O)NCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H16N6O/c13-9-11(19)14-7-4-8-18-16-12(15-17-18)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,19)
InChIKeyRDHTZDOFBZABLX-UHFFFAOYSA-N
XLogP-0.19
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide?
The IUPAC name of 2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide (CID 177376611) is 2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide is NCC(=O)NCCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide?
The InChIKey is RDHTZDOFBZABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c13-9-11(19)14-7-4-8-18-16-12(15-17-18)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,19).
What are the key properties of 2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide?
2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(5-phenyltetrazol-2-yl)propyl]acetamide is sourced from PubChem (CID 177376611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).