(E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

C13H16N4O — CID 124605391

IUPAC(E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESCC(C)COc1ccccc1/C=N/n1cnnc1
InChIInChI=1S/C13H16N4O/c1-11(2)8-18-13-6-4-3-5-12(13)7-16-17-9-14-15-10-17/h3-7,9-11H,8H2,1-2H3/b16-7+
InChIKeySXFSFMDJMVRSPH-FRKPEAEDSA-N
MW244.30 g/mol
LogP2.20
Rot. Bonds5

About (E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 124605391) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID124605391
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESCC(C)COc1ccccc1/C=N/n1cnnc1
InChIInChI=1S/C13H16N4O/c1-11(2)8-18-13-6-4-3-5-12(13)7-16-17-9-14-15-10-17/h3-7,9-11H,8H2,1-2H3/b16-7+
InChIKeySXFSFMDJMVRSPH-FRKPEAEDSA-N
XLogP2.20
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.20
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

1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 2226105
(Z)-1-[2-[(4-methylphenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 112537955
4-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 7710582
2-[2-(1,2,4-triazol-4-yliminomethyl)phenoxy]acetate
CID 4109780
1-[2-[2-(4-methylphenyl)sulfanylethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 3254716
1-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 2274500
N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine
CID 110507385
1-[2-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 3598940
(Z)-1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7728533
1-ethenyl-2-(2-methylpropoxy)benzene
CID 22475776
trimethyl-[2-[2-(2-methylpropoxy)phenyl]ethenoxy]silane
CID 68879621
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110509597

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (CID 124605391) is (E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is CC(C)COc1ccccc1/C=N/n1cnnc1.
What is the InChIKey of (E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is SXFSFMDJMVRSPH-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H16N4O/c1-11(2)8-18-13-6-4-3-5-12(13)7-16-17-9-14-15-10-17/h3-7,9-11H,8H2,1-2H3/b16-7+.
What are the key properties of (E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 244.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 124605391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).