1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine

C10H10N6 — CID 6869142

IUPAC1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H10N6/c11-10-13-14-15-16(10)12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,11,13,15)/b7-4+,12-8+
InChIKeyHDMYUEYNNGDXBK-HCFISPQYSA-N
MW214.23 g/mol
LogP0.80
Rot. Bonds3

About 1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine

1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine (PubChem CID 6869142) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine
PubChem CID6869142
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H10N6/c11-10-13-14-15-16(10)12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,11,13,15)/b7-4+,12-8+
InChIKeyHDMYUEYNNGDXBK-HCFISPQYSA-N
XLogP0.80
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.80
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 1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine (CID 6869142) is 1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine is Nc1nnnn1/N=C/C=C/c1ccccc1.
What is the InChIKey of 1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine?
The InChIKey is HDMYUEYNNGDXBK-HCFISPQYSA-N. The full InChI is InChI=1S/C10H10N6/c11-10-13-14-15-16(10)12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,11,13,15)/b7-4+,12-8+.
What are the key properties of 1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine?
1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine has a molecular weight of 214.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine is sourced from PubChem (CID 6869142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).