2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

C12H13N7O — CID 6884485

IUPAC2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/C=C/c2ccccc2)n1
InChIInChI=1S/C12H13N7O/c13-12-16-18-19(17-12)9-11(20)15-14-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,17)(H,15,20)/b7-4+,14-8+
InChIKeyLQTKHJUBFUBIRF-CUJDEGIUSA-N
MW271.28 g/mol
LogP0.07
Rot. Bonds5

About 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6884485) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6884485
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/C=C/c2ccccc2)n1
InChIInChI=1S/C12H13N7O/c13-12-16-18-19(17-12)9-11(20)15-14-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,17)(H,15,20)/b7-4+,14-8+
InChIKeyLQTKHJUBFUBIRF-CUJDEGIUSA-N
XLogP0.07
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 6884485) is 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is Nc1nnn(CC(=O)N/N=C/C=C/c2ccccc2)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is LQTKHJUBFUBIRF-CUJDEGIUSA-N. The full InChI is InChI=1S/C12H13N7O/c13-12-16-18-19(17-12)9-11(20)15-14-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,17)(H,15,20)/b7-4+,14-8+.
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 271.28 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6884485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).