1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C13H26N4O4 — CID 106993138

IUPAC1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCCNCc1cn(CC(O)COC(C)COC)nn1
InChIInChI=1S/C13H26N4O4/c1-11(9-20-3)21-10-13(18)8-17-7-12(15-16-17)6-14-4-5-19-2/h7,11,13-14,18H,4-6,8-10H2,1-3H3
InChIKeyUQVOSPISDAIXBX-UHFFFAOYSA-N
MW302.38 g/mol
LogP-0.57
Rot. Bonds12

About 1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106993138) has the molecular formula C13H26N4O4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106993138
Molecular FormulaC13H26N4O4
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCCNCc1cn(CC(O)COC(C)COC)nn1
InChIInChI=1S/C13H26N4O4/c1-11(9-20-3)21-10-13(18)8-17-7-12(15-16-17)6-14-4-5-19-2/h7,11,13-14,18H,4-6,8-10H2,1-3H3
InChIKeyUQVOSPISDAIXBX-UHFFFAOYSA-N
XLogP-0.57
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
CID 66191790
1-butoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
CID 107264375
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
CID 66192486
2-methoxy-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]ethanamine
CID 66204200
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
N-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66192493
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide
CID 66205413
2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine
CID 66205422
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone
CID 66206840
1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989455

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106993138) is 1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCCNCc1cn(CC(O)COC(C)COC)nn1.
What is the InChIKey of 1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is UQVOSPISDAIXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O4/c1-11(9-20-3)21-10-13(18)8-17-7-12(15-16-17)6-14-4-5-19-2/h7,11,13-14,18H,4-6,8-10H2,1-3H3.
What are the key properties of 1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 302.38 g/mol, XLogP of -0.57, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106993138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).