2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol

C9H12N4OS — CID 66352311

IUPAC2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccsc2)nn1
InChIInChI=1S/C9H12N4OS/c14-3-2-13-6-9(11-12-13)5-10-8-1-4-15-7-8/h1,4,6-7,10,14H,2-3,5H2
InChIKeyBUWATVGCQKBSLX-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.94
Rot. Bonds5

About 2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol

2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol (PubChem CID 66352311) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol
PubChem CID66352311
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccsc2)nn1
InChIInChI=1S/C9H12N4OS/c14-3-2-13-6-9(11-12-13)5-10-8-1-4-15-7-8/h1,4,6-7,10,14H,2-3,5H2
InChIKeyBUWATVGCQKBSLX-UHFFFAOYSA-N
XLogP0.94
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1-Thiophen-3-yltriazol-4-yl)methanol
CID 62705428
(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
2-methoxy-N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66205423
2-[4-[(Thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol
CID 66268265
2-[4-[(2-Thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol
CID 66268449
2-[4-[(Thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol
CID 66268501
2-[4-[(2-Thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol
CID 66269446
3-[4-[(Thiophen-3-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270863
N-[(1-methyltriazol-4-yl)methyl]thiophen-3-amine
CID 66350590
2-[4-[(Thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol
CID 66350804
1-Pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol
CID 66351051
3-[4-[(Thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66352310

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol (CID 66352311) is 2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol is OCCn1cc(CNc2ccsc2)nn1.
What is the InChIKey of 2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is BUWATVGCQKBSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c14-3-2-13-6-9(11-12-13)5-10-8-1-4-15-7-8/h1,4,6-7,10,14H,2-3,5H2.
What are the key properties of 2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 224.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66352311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).