N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine

C15H23N5 — CID 76683978

IUPACN-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C15H23N5/c1-3-19(4-2)11-10-16-15-13-20(18-17-15)12-14-8-6-5-7-9-14/h5-9,13,16H,3-4,10-12H2,1-2H3
InChIKeyQVKCHCWYVGDYNI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.08
Rot. Bonds8

About N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine

N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 76683978) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID76683978
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C15H23N5/c1-3-19(4-2)11-10-16-15-13-20(18-17-15)12-14-8-6-5-7-9-14/h5-9,13,16H,3-4,10-12H2,1-2H3
InChIKeyQVKCHCWYVGDYNI-UHFFFAOYSA-N
XLogP2.08
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine 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-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine (CID 76683978) is N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1cn(Cc2ccccc2)nn1.
What is the InChIKey of N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is QVKCHCWYVGDYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-19(4-2)11-10-16-15-13-20(18-17-15)12-14-8-6-5-7-9-14/h5-9,13,16H,3-4,10-12H2,1-2H3.
What are the key properties of N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine?
N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 76683978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).