2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol

C14H21N5O — CID 66270190

IUPAC2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol
SMILESCN(C)Cc1ccc(NCc2cn(CCO)nn2)cc1
InChIInChI=1S/C14H21N5O/c1-18(2)10-12-3-5-13(6-4-12)15-9-14-11-19(7-8-20)17-16-14/h3-6,11,15,20H,7-10H2,1-2H3
InChIKeyJAYJMHDRLJCOKL-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.94
Rot. Bonds7

About 2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol

2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol (PubChem CID 66270190) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol
PubChem CID66270190
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol
SMILESCN(C)Cc1ccc(NCc2cn(CCO)nn2)cc1
InChIInChI=1S/C14H21N5O/c1-18(2)10-12-3-5-13(6-4-12)15-9-14-11-19(7-8-20)17-16-14/h3-6,11,15,20H,7-10H2,1-2H3
InChIKeyJAYJMHDRLJCOKL-UHFFFAOYSA-N
XLogP0.94
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol 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 2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol (CID 66270190) is 2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol is CN(C)Cc1ccc(NCc2cn(CCO)nn2)cc1.
What is the InChIKey of 2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol?
The InChIKey is JAYJMHDRLJCOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-18(2)10-12-3-5-13(6-4-12)15-9-14-11-19(7-8-20)17-16-14/h3-6,11,15,20H,7-10H2,1-2H3.
What are the key properties of 2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol?
2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol has a molecular weight of 275.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66270190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).