(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

C13H9FN4O — CID 5395923

IUPAC(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFc1ccc(-c2ccc(/C=N\n3cnnc3)o2)cc1
InChIInChI=1S/C13H9FN4O/c14-11-3-1-10(2-4-11)13-6-5-12(19-13)7-17-18-8-15-16-9-18/h1-9H/b17-7-
InChIKeyAHVNPEWVKSASMS-IDUWFGFVSA-N
MW256.24 g/mol
LogP2.56
Rot. Bonds3

About (Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5395923) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is (Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5395923
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC Name(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFc1ccc(-c2ccc(/C=N\n3cnnc3)o2)cc1
InChIInChI=1S/C13H9FN4O/c14-11-3-1-10(2-4-11)13-6-5-12(19-13)7-17-18-8-15-16-9-18/h1-9H/b17-7-
InChIKeyAHVNPEWVKSASMS-IDUWFGFVSA-N
XLogP2.56
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[5-(4-methylphenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858454
(Z)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6113221
methyl 4-[5-(1,2,4-triazol-4-yliminomethyl)furan-2-yl]benzoate
CID 3784898
(Z)-1-[5-(4-fluoro-3-nitrophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6058525
prop-2-enyl 4-[5-(1,2,4-triazol-4-yliminomethyl)furan-2-yl]benzoate
CID 23904704
3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoic acid
CID 5339251
(E)-1-(5-methylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6858623
3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409974
(1R,2S,6S,7R,8S,10S)-4-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98093067
(1S,2S,6R,7R,8S,10R)-4-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 11864010
4-chloro-3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoic acid
CID 6859406
(Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 21381413

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine (CID 5395923) is (Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is Fc1ccc(-c2ccc(/C=N\n3cnnc3)o2)cc1.
What is the InChIKey of (Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is AHVNPEWVKSASMS-IDUWFGFVSA-N. The full InChI is InChI=1S/C13H9FN4O/c14-11-3-1-10(2-4-11)13-6-5-12(19-13)7-17-18-8-15-16-9-18/h1-9H/b17-7-.
What are the key properties of (Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 256.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5395923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).