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

C10H9BrN6 — CID 6858766

IUPAC1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/C(Br)=C/c1ccccc1
InChIInChI=1S/C10H9BrN6/c11-9(6-8-4-2-1-3-5-8)7-13-17-10(12)14-15-16-17/h1-7H,(H2,12,14,16)/b9-6-,13-7+
InChIKeyASTHOWUTDWXZAK-XGLIJBRHSA-N
MW293.13 g/mol
LogP1.53
Rot. Bonds3

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

1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine (PubChem CID 6858766) has the molecular formula C10H9BrN6 and a molecular weight of 293.13 g/mol. Its IUPAC name is 1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine
PubChem CID6858766
Molecular FormulaC10H9BrN6
Molecular Weight293.13 g/mol
Exact Mass292.01
IUPAC Name1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/C(Br)=C/c1ccccc1
InChIInChI=1S/C10H9BrN6/c11-9(6-8-4-2-1-3-5-8)7-13-17-10(12)14-15-16-17/h1-7H,(H2,12,14,16)/b9-6-,13-7+
InChIKeyASTHOWUTDWXZAK-XGLIJBRHSA-N
XLogP1.53
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 51.53
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)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine (CID 6858766) is 1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine is Nc1nnnn1/N=C/C(Br)=C/c1ccccc1.
What is the InChIKey of 1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine?
The InChIKey is ASTHOWUTDWXZAK-XGLIJBRHSA-N. The full InChI is InChI=1S/C10H9BrN6/c11-9(6-8-4-2-1-3-5-8)7-13-17-10(12)14-15-16-17/h1-7H,(H2,12,14,16)/b9-6-,13-7+.
What are the key properties of 1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine?
1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine has a molecular weight of 293.13 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]tetrazol-5-amine is sourced from PubChem (CID 6858766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).