N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine

C8H16N4 — CID 12888405

IUPACN,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine
SMILESCCN(CC)CCn1cnnc1
InChIInChI=1S/C8H16N4/c1-3-11(4-2)5-6-12-7-9-10-8-12/h7-8H,3-6H2,1-2H3
InChIKeyZLBWPKHFYJKOKP-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.62
Rot. Bonds5

About N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine

N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine (PubChem CID 12888405) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine
PubChem CID12888405
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine
SMILESCCN(CC)CCn1cnnc1
InChIInChI=1S/C8H16N4/c1-3-11(4-2)5-6-12-7-9-10-8-12/h7-8H,3-6H2,1-2H3
InChIKeyZLBWPKHFYJKOKP-UHFFFAOYSA-N
XLogP0.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine (CID 12888405) is N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine is CCN(CC)CCn1cnnc1.
What is the InChIKey of N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine?
The InChIKey is ZLBWPKHFYJKOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-11(4-2)5-6-12-7-9-10-8-12/h7-8H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine?
N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine has a molecular weight of 168.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1,2,4-triazol-4-yl)ethanamine is sourced from PubChem (CID 12888405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).