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

C11H16N4OS — CID 66270863

IUPAC3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCc2ccsc2)nn1
InChIInChI=1S/C11H16N4OS/c16-4-1-3-15-8-11(13-14-15)7-12-6-10-2-5-17-9-10/h2,5,8-9,12,16H,1,3-4,6-7H2
InChIKeyYTAWDRCGRDHKBP-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.01
Rot. Bonds7

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

3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66270863) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66270863
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCc2ccsc2)nn1
InChIInChI=1S/C11H16N4OS/c16-4-1-3-15-8-11(13-14-15)7-12-6-10-2-5-17-9-10/h2,5,8-9,12,16H,1,3-4,6-7H2
InChIKeyYTAWDRCGRDHKBP-UHFFFAOYSA-N
XLogP1.01
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(thiophen-3-ylmethylamino)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

Related Compounds

N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55029882
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55067141
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 55072751
N-methyl-1-[1-(3-piperidinylmethyl)-1H-1,2,3-triazol-4-yl]-N-(3-thienylmethyl)methanamine bis(trifluoroacetate)
CID 56854108
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62053952
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanol
CID 62399992
[1-[(5-Bromothiophen-3-yl)methyl]triazol-4-yl]methanol
CID 62400551
2-[1-(Thiophen-3-ylmethyl)triazol-4-yl]ethanol
CID 62401722
2-[1-[(5-Bromothiophen-3-yl)methyl]triazol-4-yl]ethanol
CID 62402079
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine
CID 62421398

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol (CID 66270863) is 3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNCc2ccsc2)nn1.
What is the InChIKey of 3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is YTAWDRCGRDHKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-4-1-3-15-8-11(13-14-15)7-12-6-10-2-5-17-9-10/h2,5,8-9,12,16H,1,3-4,6-7H2.
What are the key properties of 3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 252.34 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66270863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).