N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine

C14H18N4 — CID 726906

IUPACN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCc1nnc(C)n1N=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N4/c1-10(2)14-7-5-13(6-8-14)9-15-18-11(3)16-17-12(18)4/h5-10H,1-4H3
InChIKeyULHOGIXZNMDDKK-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.90
Rot. Bonds3

About N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine

N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine (PubChem CID 726906) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine
PubChem CID726906
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCc1nnc(C)n1N=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N4/c1-10(2)14-7-5-13(6-8-14)9-15-18-11(3)16-17-12(18)4/h5-10H,1-4H3
InChIKeyULHOGIXZNMDDKK-UHFFFAOYSA-N
XLogP2.90
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine?
The IUPAC name of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine (CID 726906) is N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine?
The canonical SMILES for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine is Cc1nnc(C)n1N=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine?
The InChIKey is ULHOGIXZNMDDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(2)14-7-5-13(6-8-14)9-15-18-11(3)16-17-12(18)4/h5-10H,1-4H3.
What are the key properties of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine?
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine has a molecular weight of 242.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 726906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).