2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol

C14H19N5O — CID 6905986

IUPAC2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol
SMILESCc1nnc(C)n1/N=C/c1ccc(N(C)CCO)cc1
InChIInChI=1S/C14H19N5O/c1-11-16-17-12(2)19(11)15-10-13-4-6-14(7-5-13)18(3)8-9-20/h4-7,10,20H,8-9H2,1-3H3/b15-10+
InChIKeyCWSCNOXDZJXGMA-XNTDXEJSSA-N
MW273.34 g/mol
LogP1.21
Rot. Bonds5

About 2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol

2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol (PubChem CID 6905986) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol
PubChem CID6905986
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol
SMILESCc1nnc(C)n1/N=C/c1ccc(N(C)CCO)cc1
InChIInChI=1S/C14H19N5O/c1-11-16-17-12(2)19(11)15-10-13-4-6-14(7-5-13)18(3)8-9-20/h4-7,10,20H,8-9H2,1-3H3/b15-10+
InChIKeyCWSCNOXDZJXGMA-XNTDXEJSSA-N
XLogP1.21
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol?
The IUPAC name of 2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol (CID 6905986) is 2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol is Cc1nnc(C)n1/N=C/c1ccc(N(C)CCO)cc1.
What is the InChIKey of 2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol?
The InChIKey is CWSCNOXDZJXGMA-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-16-17-12(2)19(11)15-10-13-4-6-14(7-5-13)18(3)8-9-20/h4-7,10,20H,8-9H2,1-3H3/b15-10+.
What are the key properties of 2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol?
2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol has a molecular weight of 273.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol is sourced from PubChem (CID 6905986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).