N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine

C16H16N6 — CID 5390212

IUPACN-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine
SMILESCC/C(=N\n1nnnc1Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N6/c1-2-15(13-9-5-3-6-10-13)19-22-16(18-20-21-22)17-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18,21)/b19-15+
InChIKeySUXKRFZQTQJHFB-XDJHFCHBSA-N
MW292.35 g/mol
LogP3.08
Rot. Bonds5

About N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine

N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine (PubChem CID 5390212) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine.

Molecular Properties

Compound NameN-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine
PubChem CID5390212
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC NameN-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine
SMILESCC/C(=N\n1nnnc1Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N6/c1-2-15(13-9-5-3-6-10-13)19-22-16(18-20-21-22)17-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18,21)/b19-15+
InChIKeySUXKRFZQTQJHFB-XDJHFCHBSA-N
XLogP3.08
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine?
The IUPAC name of N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine (CID 5390212) is N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine.
What is the SMILES notation for N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine?
The canonical SMILES for N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine is CC/C(=N\n1nnnc1Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine?
The InChIKey is SUXKRFZQTQJHFB-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H16N6/c1-2-15(13-9-5-3-6-10-13)19-22-16(18-20-21-22)17-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18,21)/b19-15+.
What are the key properties of N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine?
N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine has a molecular weight of 292.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[(E)-1-phenylpropylideneamino]tetrazol-5-amine is sourced from PubChem (CID 5390212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).