(Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

C16H13FN4O — CID 5415727

IUPAC(Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFc1ccc(COc2cccc(/C=N\n3cnnc3)c2)cc1
InChIInChI=1S/C16H13FN4O/c17-15-6-4-13(5-7-15)10-22-16-3-1-2-14(8-16)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2/b20-9-
InChIKeyMHSLVDPNCMOMBP-UKWGHVSLSA-N
MW296.31 g/mol
LogP2.88
Rot. Bonds5

About (Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5415727) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is (Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5415727
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name(Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFc1ccc(COc2cccc(/C=N\n3cnnc3)c2)cc1
InChIInChI=1S/C16H13FN4O/c17-15-6-4-13(5-7-15)10-22-16-3-1-2-14(8-16)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2/b20-9-
InChIKeyMHSLVDPNCMOMBP-UKWGHVSLSA-N
XLogP2.88
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.88
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

(Z)-1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 21381374
1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
CID 962360
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
CID 110842530
1-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 1348402
(E)-1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 110339660
(E)-1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858864
4-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 110340578
(E)-1-[4-[(4-tert-butylphenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 110339842
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42201925
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
(E)-1-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6859938

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine (CID 5415727) is (Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is Fc1ccc(COc2cccc(/C=N\n3cnnc3)c2)cc1.
What is the InChIKey of (Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is MHSLVDPNCMOMBP-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-15-6-4-13(5-7-15)10-22-16-3-1-2-14(8-16)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2/b20-9-.
What are the key properties of (Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 296.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5415727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).