(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine

C18H18N4O — CID 6063523

IUPAC(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESCc1nnc(C)n1/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H18N4O/c1-14-20-21-15(2)22(14)19-12-17-9-6-10-18(11-17)23-13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3/b19-12-
InChIKeyMZCBHKHSASAZLL-UNOMPAQXSA-N
MW306.37 g/mol
LogP3.36
Rot. Bonds5

About (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine

(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine (PubChem CID 6063523) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine
PubChem CID6063523
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESCc1nnc(C)n1/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H18N4O/c1-14-20-21-15(2)22(14)19-12-17-9-6-10-18(11-17)23-13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3/b19-12-
InChIKeyMZCBHKHSASAZLL-UNOMPAQXSA-N
XLogP3.36
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine?
The IUPAC name of (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine (CID 6063523) is (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine is Cc1nnc(C)n1/N=C\c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine?
The InChIKey is MZCBHKHSASAZLL-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14-20-21-15(2)22(14)19-12-17-9-6-10-18(11-17)23-13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3/b19-12-.
What are the key properties of (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine?
(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine has a molecular weight of 306.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 6063523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).