3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol

C10H16N6O — CID 66268573

IUPAC3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCc2cnc[nH]2)nn1
InChIInChI=1S/C10H16N6O/c17-3-1-2-16-7-10(14-15-16)6-11-4-9-5-12-8-13-9/h5,7-8,11,17H,1-4,6H2,(H,12,13)
InChIKeyMWPRXKUIFYYFCO-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.33
Rot. Bonds7

About 3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66268573) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66268573
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCc2cnc[nH]2)nn1
InChIInChI=1S/C10H16N6O/c17-3-1-2-16-7-10(14-15-16)6-11-4-9-5-12-8-13-9/h5,7-8,11,17H,1-4,6H2,(H,12,13)
InChIKeyMWPRXKUIFYYFCO-UHFFFAOYSA-N
XLogP-0.33
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
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
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
3-[4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269517
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268182
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol (CID 66268573) is 3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNCc2cnc[nH]2)nn1.
What is the InChIKey of 3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is MWPRXKUIFYYFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c17-3-1-2-16-7-10(14-15-16)6-11-4-9-5-12-8-13-9/h5,7-8,11,17H,1-4,6H2,(H,12,13).
What are the key properties of 3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 236.28 g/mol, XLogP of -0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1H-imidazol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66268573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).