1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine

C16H15FN6O2 — CID 5343953

IUPAC1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
SMILESCOc1cc(/C=N\n2nnnc2N)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C16H15FN6O2/c1-24-15-8-12(9-19-23-16(18)20-21-22-23)4-7-14(15)25-10-11-2-5-13(17)6-3-11/h2-9H,10H2,1H3,(H2,18,20,22)/b19-9-
InChIKeyJFNFFOKQIVNSSR-OCKHKDLRSA-N
MW342.33 g/mol
LogP1.86
Rot. Bonds6

About 1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine

1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine (PubChem CID 5343953) has the molecular formula C16H15FN6O2 and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
PubChem CID5343953
Molecular FormulaC16H15FN6O2
Molecular Weight342.33 g/mol
Exact Mass342.12
IUPAC Name1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
SMILESCOc1cc(/C=N\n2nnnc2N)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C16H15FN6O2/c1-24-15-8-12(9-19-23-16(18)20-21-22-23)4-7-14(15)25-10-11-2-5-13(17)6-3-11/h2-9H,10H2,1H3,(H2,18,20,22)/b19-9-
InChIKeyJFNFFOKQIVNSSR-OCKHKDLRSA-N
XLogP1.86
TPSA100.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine (CID 5343953) is 1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine is COc1cc(/C=N\n2nnnc2N)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
The InChIKey is JFNFFOKQIVNSSR-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H15FN6O2/c1-24-15-8-12(9-19-23-16(18)20-21-22-23)4-7-14(15)25-10-11-2-5-13(17)6-3-11/h2-9H,10H2,1H3,(H2,18,20,22)/b19-9-.
What are the key properties of 1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine has a molecular weight of 342.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 5343953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).