N,N-diethyl-2-(2H-triazol-4-yl)ethanamine

C8H16N4 — CID 141148006

IUPACN,N-diethyl-2-(2H-triazol-4-yl)ethanamine
SMILESCCN(CC)CCc1cn[nH]n1
InChIInChI=1S/C8H16N4/c1-3-12(4-2)6-5-8-7-9-11-10-8/h7H,3-6H2,1-2H3,(H,9,10,11)
InChIKeyZQFYFPNQWDDLEW-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.69
Rot. Bonds5

About N,N-diethyl-2-(2H-triazol-4-yl)ethanamine

N,N-diethyl-2-(2H-triazol-4-yl)ethanamine (PubChem CID 141148006) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N,N-diethyl-2-(2H-triazol-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2H-triazol-4-yl)ethanamine
PubChem CID141148006
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN,N-diethyl-2-(2H-triazol-4-yl)ethanamine
SMILESCCN(CC)CCc1cn[nH]n1
InChIInChI=1S/C8H16N4/c1-3-12(4-2)6-5-8-7-9-11-10-8/h7H,3-6H2,1-2H3,(H,9,10,11)
InChIKeyZQFYFPNQWDDLEW-UHFFFAOYSA-N
XLogP0.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2H-triazol-4-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(2H-triazol-4-yl)ethanamine (CID 141148006) is N,N-diethyl-2-(2H-triazol-4-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2H-triazol-4-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2H-triazol-4-yl)ethanamine is CCN(CC)CCc1cn[nH]n1.
What is the InChIKey of N,N-diethyl-2-(2H-triazol-4-yl)ethanamine?
The InChIKey is ZQFYFPNQWDDLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-12(4-2)6-5-8-7-9-11-10-8/h7H,3-6H2,1-2H3,(H,9,10,11).
What are the key properties of N,N-diethyl-2-(2H-triazol-4-yl)ethanamine?
N,N-diethyl-2-(2H-triazol-4-yl)ethanamine has a molecular weight of 168.24 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2H-triazol-4-yl)ethanamine is sourced from PubChem (CID 141148006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).