1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol

C18H30N10O3 — CID 66749344

IUPAC1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol
SMILESCCC(O)n1cc(CN(Cc2cn(C(O)CC)nn2)Cc2cn(C(O)CC)nn2)nn1
InChIInChI=1S/C18H30N10O3/c1-4-16(29)26-10-13(19-22-26)7-25(8-14-11-27(23-20-14)17(30)5-2)9-15-12-28(24-21-15)18(31)6-3/h10-12,16-18,29-31H,4-9H2,1-3H3
InChIKeyOYZLQQBAUFGPML-UHFFFAOYSA-N
MW434.51 g/mol
LogP0.37
Rot. Bonds12

About 1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol

1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66749344) has the molecular formula C18H30N10O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is 1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66749344
Molecular FormulaC18H30N10O3
Molecular Weight434.51 g/mol
Exact Mass434.25
IUPAC Name1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol
SMILESCCC(O)n1cc(CN(Cc2cn(C(O)CC)nn2)Cc2cn(C(O)CC)nn2)nn1
InChIInChI=1S/C18H30N10O3/c1-4-16(29)26-10-13(19-22-26)7-25(8-14-11-27(23-20-14)17(30)5-2)9-15-12-28(24-21-15)18(31)6-3/h10-12,16-18,29-31H,4-9H2,1-3H3
InChIKeyOYZLQQBAUFGPML-UHFFFAOYSA-N
XLogP0.37
TPSA156.06 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol (CID 66749344) is 1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol is CCC(O)n1cc(CN(Cc2cn(C(O)CC)nn2)Cc2cn(C(O)CC)nn2)nn1.
What is the InChIKey of 1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is OYZLQQBAUFGPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N10O3/c1-4-16(29)26-10-13(19-22-26)7-25(8-14-11-27(23-20-14)17(30)5-2)9-15-12-28(24-21-15)18(31)6-3/h10-12,16-18,29-31H,4-9H2,1-3H3.
What are the key properties of 1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol?
1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 434.51 g/mol, XLogP of 0.37, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[bis[[1-(1-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66749344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).