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

C10H14N4OS — CID 66352310

IUPAC3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNc2ccsc2)nn1
InChIInChI=1S/C10H14N4OS/c15-4-1-3-14-7-10(12-13-14)6-11-9-2-5-16-8-9/h2,5,7-8,11,15H,1,3-4,6H2
InChIKeyFDNTYOBPFFWNHR-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.33
Rot. Bonds6

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

3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66352310) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66352310
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNc2ccsc2)nn1
InChIInChI=1S/C10H14N4OS/c15-4-1-3-14-7-10(12-13-14)6-11-9-2-5-16-8-9/h2,5,7-8,11,15H,1,3-4,6H2
InChIKeyFDNTYOBPFFWNHR-UHFFFAOYSA-N
XLogP1.33
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.33
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
3-[4-[(2-Thiophen-2-ylethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268151
2-[4-[(Thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol
CID 66268501
3-[4-[(2-Thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268942
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]triazol-1-yl]ethanol
CID 66352311
3-[4-[[(4-Methylthiophen-3-yl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 80245275
N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine
CID 103399195
2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide
CID 115460066
N-[(3-methyltriazol-4-yl)methyl]thiophen-3-amine
CID 116172398

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol (CID 66352310) is 3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNc2ccsc2)nn1.
What is the InChIKey of 3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is FDNTYOBPFFWNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c15-4-1-3-14-7-10(12-13-14)6-11-9-2-5-16-8-9/h2,5,7-8,11,15H,1,3-4,6H2.
What are the key properties of 3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 238.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66352310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).