3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol

C12H18N4OS — CID 66270860

IUPAC3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(NCc1cn(CCCO)nn1)c1ccsc1
InChIInChI=1S/C12H18N4OS/c1-10(11-3-6-18-9-11)13-7-12-8-16(15-14-12)4-2-5-17/h3,6,8-10,13,17H,2,4-5,7H2,1H3
InChIKeyBMAGYHWSOIETBV-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.57
Rot. Bonds7

About 3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66270860) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66270860
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(NCc1cn(CCCO)nn1)c1ccsc1
InChIInChI=1S/C12H18N4OS/c1-10(11-3-6-18-9-11)13-7-12-8-16(15-14-12)4-2-5-17/h3,6,8-10,13,17H,2,4-5,7H2,1H3
InChIKeyBMAGYHWSOIETBV-UHFFFAOYSA-N
XLogP1.57
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol 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 3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol (CID 66270860) is 3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol is CC(NCc1cn(CCCO)nn1)c1ccsc1.
What is the InChIKey of 3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is BMAGYHWSOIETBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-10(11-3-6-18-9-11)13-7-12-8-16(15-14-12)4-2-5-17/h3,6,8-10,13,17H,2,4-5,7H2,1H3.
What are the key properties of 3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 266.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66270860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).