3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol

C11H18N6O — CID 66268182

IUPAC3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCCn2ccnc2)nn1
InChIInChI=1S/C11H18N6O/c18-7-1-4-17-9-11(14-15-17)8-12-2-5-16-6-3-13-10-16/h3,6,9-10,12,18H,1-2,4-5,7-8H2
InChIKeyZVWPPRWXDBRRSK-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.35
Rot. Bonds8

About 3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66268182) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66268182
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCCn2ccnc2)nn1
InChIInChI=1S/C11H18N6O/c18-7-1-4-17-9-11(14-15-17)8-12-2-5-16-6-3-13-10-16/h3,6,9-10,12,18H,1-2,4-5,7-8H2
InChIKeyZVWPPRWXDBRRSK-UHFFFAOYSA-N
XLogP-0.35
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269880
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62756118
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine
CID 62055653
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide
CID 114778822
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269867
2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]acetic acid
CID 107461840
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268914
1-[2-(2-imidazol-1-ylethylamino)ethyl]triazole-4-carboxylic acid
CID 103247747

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol (CID 66268182) is 3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNCCn2ccnc2)nn1.
What is the InChIKey of 3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is ZVWPPRWXDBRRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c18-7-1-4-17-9-11(14-15-17)8-12-2-5-16-6-3-13-10-16/h3,6,9-10,12,18H,1-2,4-5,7-8H2.
What are the key properties of 3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 250.31 g/mol, XLogP of -0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66268182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).