N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline

C15H23N5 — CID 62436489

IUPACN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline
SMILESCCNCc1cn(CCN(C)c2ccccc2C)nn1
InChIInChI=1S/C15H23N5/c1-4-16-11-14-12-20(18-17-14)10-9-19(3)15-8-6-5-7-13(15)2/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyGKHKYHRFQCARER-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.83
Rot. Bonds7

About N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline (PubChem CID 62436489) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline
PubChem CID62436489
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline
SMILESCCNCc1cn(CCN(C)c2ccccc2C)nn1
InChIInChI=1S/C15H23N5/c1-4-16-11-14-12-20(18-17-14)10-9-19(3)15-8-6-5-7-13(15)2/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyGKHKYHRFQCARER-UHFFFAOYSA-N
XLogP1.83
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 62424016
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62417286
2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 62436258
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylbutan-1-amine
CID 62423669
2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 62429146
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 55069971
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
CID 62426850
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112665709
3-[2-[4-(ethylaminomethyl)triazol-1-yl]ethoxy]-N,N-dimethylpropan-1-amine
CID 62458826
N-[[1-[2-(benzotriazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62448371
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline
CID 62429506

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline?
The IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline (CID 62436489) is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline is CCNCc1cn(CCN(C)c2ccccc2C)nn1.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline?
The InChIKey is GKHKYHRFQCARER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-16-11-14-12-20(18-17-14)10-9-19(3)15-8-6-5-7-13(15)2/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline?
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline has a molecular weight of 273.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline is sourced from PubChem (CID 62436489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).