1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine

C8H17N4+ — CID 18726583

IUPAC1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine
SMILESCCC1=NN=C(CN(C)C)[NH+]1C
InChIInChI=1S/C8H16N4/c1-5-7-9-10-8(12(7)4)6-11(2)3/h5-6H2,1-4H3/p+1
InChIKeyFXUZRMGWEVRQRS-UHFFFAOYSA-O
MW169.25 g/mol
LogP-0.80
Rot. Bonds3

About 1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine

1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine (PubChem CID 18726583) has the molecular formula C8H17N4+ and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine
PubChem CID18726583
Molecular FormulaC8H17N4+
Molecular Weight169.25 g/mol
Exact Mass169.14
IUPAC Name1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine
SMILESCCC1=NN=C(CN(C)C)[NH+]1C
InChIInChI=1S/C8H16N4/c1-5-7-9-10-8(12(7)4)6-11(2)3/h5-6H2,1-4H3/p+1
InChIKeyFXUZRMGWEVRQRS-UHFFFAOYSA-O
XLogP-0.80
TPSA32.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine (CID 18726583) is 1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine is CCC1=NN=C(CN(C)C)[NH+]1C.
What is the InChIKey of 1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine?
The InChIKey is FXUZRMGWEVRQRS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N4/c1-5-7-9-10-8(12(7)4)6-11(2)3/h5-6H2,1-4H3/p+1.
What are the key properties of 1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine?
1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine has a molecular weight of 169.25 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methyl-4H-1,2,4-triazol-4-ium-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 18726583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).