N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine

C13H26N4 — CID 82923949

IUPACN-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCC(CC)Cn1cnc(CNC(C)(C)C)n1
InChIInChI=1S/C13H26N4/c1-6-11(7-2)9-17-10-14-12(16-17)8-15-13(3,4)5/h10-11,15H,6-9H2,1-5H3
InChIKeyGWFWWXJYPDZUAA-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.60
Rot. Bonds6

About N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82923949) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID82923949
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCC(CC)Cn1cnc(CNC(C)(C)C)n1
InChIInChI=1S/C13H26N4/c1-6-11(7-2)9-17-10-14-12(16-17)8-15-13(3,4)5/h10-11,15H,6-9H2,1-5H3
InChIKeyGWFWWXJYPDZUAA-UHFFFAOYSA-N
XLogP2.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine 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 N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine (CID 82923949) is N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine is CCC(CC)Cn1cnc(CNC(C)(C)C)n1.
What is the InChIKey of N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GWFWWXJYPDZUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-11(7-2)9-17-10-14-12(16-17)8-15-13(3,4)5/h10-11,15H,6-9H2,1-5H3.
What are the key properties of N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 238.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82923949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).