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

C15H13FN6O — CID 962360

IUPAC1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1N=Cc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C15H13FN6O/c16-13-6-4-11(5-7-13)10-23-14-3-1-2-12(8-14)9-18-22-15(17)19-20-21-22/h1-9H,10H2,(H2,17,19,21)
InChIKeyHQHSPSAFQUMFLP-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.86
Rot. Bonds5

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

1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine (PubChem CID 962360) has the molecular formula C15H13FN6O and a molecular weight of 312.31 g/mol. Its IUPAC name is 1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
PubChem CID962360
Molecular FormulaC15H13FN6O
Molecular Weight312.31 g/mol
Exact Mass312.11
IUPAC Name1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1N=Cc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C15H13FN6O/c16-13-6-4-11(5-7-13)10-23-14-3-1-2-12(8-14)9-18-22-15(17)19-20-21-22/h1-9H,10H2,(H2,17,19,21)
InChIKeyHQHSPSAFQUMFLP-UHFFFAOYSA-N
XLogP1.86
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5415727
1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine
CID 662960
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
CID 110842530
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 1285947
1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629559
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
(Z)-1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 21381374
2-[(2E)-2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135704630
4-[[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]methyl]benzonitrile
CID 168629174
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525501
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
4-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 110340578

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine (CID 962360) is 1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is Nc1nnnn1N=Cc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The InChIKey is HQHSPSAFQUMFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O/c16-13-6-4-11(5-7-13)10-23-14-3-1-2-12(8-14)9-18-22-15(17)19-20-21-22/h1-9H,10H2,(H2,17,19,21).
What are the key properties of 1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine has a molecular weight of 312.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 962360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).