1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine

C15H15N7 — CID 5392452

IUPAC1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine
SMILESC/C(=N\n1nnnc1Nc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C15H15N7/c1-11(12-7-9-13(16)10-8-12)19-22-15(18-20-21-22)17-14-5-3-2-4-6-14/h2-10H,16H2,1H3,(H,17,18,21)/b19-11+
InChIKeyMIFWCGQMFWYRPO-YBFXNURJSA-N
MW293.33 g/mol
LogP2.27
Rot. Bonds4

About 1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine

1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine (PubChem CID 5392452) has the molecular formula C15H15N7 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine
PubChem CID5392452
Molecular FormulaC15H15N7
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine
SMILESC/C(=N\n1nnnc1Nc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C15H15N7/c1-11(12-7-9-13(16)10-8-12)19-22-15(18-20-21-22)17-14-5-3-2-4-6-14/h2-10H,16H2,1H3,(H,17,18,21)/b19-11+
InChIKeyMIFWCGQMFWYRPO-YBFXNURJSA-N
XLogP2.27
TPSA94.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 5336126
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CID 5390212
CID 5390212
CID 6336414
CID 6336414
CID 44458823
CID 44458823
CID 44459022
CID 44459022
CID 168271817
CID 168271817
CID 5270839
CID 5270839
CID 6447973
CID 6447973
CID 90078493
CID 90078493
CID 1208027
CID 1208027
CID 5270667
CID 5270667
CID 5270668
CID 5270668

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine?
The IUPAC name of 1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine (CID 5392452) is 1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine.
What is the SMILES notation for 1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine?
The canonical SMILES for 1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine is C/C(=N\n1nnnc1Nc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine?
The InChIKey is MIFWCGQMFWYRPO-YBFXNURJSA-N. The full InChI is InChI=1S/C15H15N7/c1-11(12-7-9-13(16)10-8-12)19-22-15(18-20-21-22)17-14-5-3-2-4-6-14/h2-10H,16H2,1H3,(H,17,18,21)/b19-11+.
What are the key properties of 1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine?
1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine has a molecular weight of 293.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(4-aminophenyl)ethylideneamino]-N-phenyltetrazol-5-amine is sourced from PubChem (CID 5392452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).