1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine

C14H12N6O — CID 662960

IUPAC1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1N=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H12N6O/c15-14-17-18-19-20(14)16-10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-10H,(H2,15,17,19)
InChIKeyAMHBOMLPTCDVGV-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.93
Rot. Bonds4

About 1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 662960) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID662960
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1N=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H12N6O/c15-14-17-18-19-20(14)16-10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-10H,(H2,15,17,19)
InChIKeyAMHBOMLPTCDVGV-UHFFFAOYSA-N
XLogP1.93
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine (CID 662960) is 1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine is Nc1nnnn1N=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is AMHBOMLPTCDVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c15-14-17-18-19-20(14)16-10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-10H,(H2,15,17,19).
What are the key properties of 1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 280.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 662960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).