N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine

C14H26N4O — CID 80683477

IUPACN-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC)C1(C)CCCCO1
InChIInChI=1S/C14H26N4O/c1-4-15-12(14(3)8-6-7-9-19-14)10-13-16-11-17-18(13)5-2/h11-12,15H,4-10H2,1-3H3
InChIKeyRJZNKGSSIBNFFL-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.78
Rot. Bonds6

About N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine

N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine (PubChem CID 80683477) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine
PubChem CID80683477
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC)C1(C)CCCCO1
InChIInChI=1S/C14H26N4O/c1-4-15-12(14(3)8-6-7-9-19-14)10-13-16-11-17-18(13)5-2/h11-12,15H,4-10H2,1-3H3
InChIKeyRJZNKGSSIBNFFL-UHFFFAOYSA-N
XLogP1.78
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine 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

[1-(1-ethoxycyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105276351
N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80683647
1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451871
N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104611168
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052180
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
CID 105318593
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001
N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 116714430
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 102857846
1-[1-hydrazinyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243326
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 103040345
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 80684942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine (CID 80683477) is N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine is CCNC(Cc1ncnn1CC)C1(C)CCCCO1.
What is the InChIKey of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine?
The InChIKey is RJZNKGSSIBNFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-15-12(14(3)8-6-7-9-19-14)10-13-16-11-17-18(13)5-2/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine?
N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine has a molecular weight of 266.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine is sourced from PubChem (CID 80683477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).