N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline

C11H13N5 — CID 5338634

IUPACN,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C11H13N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-9H,1-2H3/b14-7+
InChIKeyYDHQRSFAZYRBTA-VGOFMYFVSA-N
MW215.26 g/mol
LogP1.23
Rot. Bonds3

About N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline

N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline (PubChem CID 5338634) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline
PubChem CID5338634
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC NameN,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C11H13N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-9H,1-2H3/b14-7+
InChIKeyYDHQRSFAZYRBTA-VGOFMYFVSA-N
XLogP1.23
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.23
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 N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline (CID 5338634) is N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline is CN(C)c1ccc(/C=N/n2cnnc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
The InChIKey is YDHQRSFAZYRBTA-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H13N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-9H,1-2H3/b14-7+.
What are the key properties of N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline has a molecular weight of 215.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline is sourced from PubChem (CID 5338634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).