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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Related Compounds

1-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859182
(2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}-6-methoxyphenoxy)acetonitrile
CID 6873681
1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858630
1-[(E)-(2-ethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858679
5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
CID 6859201
N-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 6858631
[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 56931428
2-[(3,4-Dibenzoxybenzylidene)amino]guanidine
CID 16239425
2-(4-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}-2-methoxyphenoxy)acetamide
CID 6858847
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-6-methoxyphenol
CID 135589670
2-[(3-Ethoxy-4-phenylmethoxyphenyl)methylideneamino]guanidine
CID 2270185
N''-{(E)-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}carbonohydrazonic diamide
CID 5348593

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).