3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol

C12H18N4O2 — CID 66269867

IUPAC3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCCc2ccco2)nn1
InChIInChI=1S/C12H18N4O2/c17-7-2-6-16-10-11(14-15-16)9-13-5-4-12-3-1-8-18-12/h1,3,8,10,13,17H,2,4-7,9H2
InChIKeyTUBNAWPNVSNSFE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.59
Rot. Bonds8

About 3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66269867) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66269867
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCCc2ccco2)nn1
InChIInChI=1S/C12H18N4O2/c17-7-2-6-16-10-11(14-15-16)9-13-5-4-12-3-1-8-18-12/h1,3,8,10,13,17H,2,4-7,9H2
InChIKeyTUBNAWPNVSNSFE-UHFFFAOYSA-N
XLogP0.59
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269290
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
3-[4-[(1,2-oxazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 114185876
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268182
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
1-[2-[2-(furan-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103242144
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268914
3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269485
3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268557
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol (CID 66269867) is 3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNCCc2ccco2)nn1.
What is the InChIKey of 3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is TUBNAWPNVSNSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-7-2-6-16-10-11(14-15-16)9-13-5-4-12-3-1-8-18-12/h1,3,8,10,13,17H,2,4-7,9H2.
What are the key properties of 3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 250.30 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66269867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).