1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol

C13H24N4O2 — CID 46863383

IUPAC1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol
SMILESCCCCC(O)Cn1cc(CN2CCOCC2)nn1
InChIInChI=1S/C13H24N4O2/c1-2-3-4-13(18)11-17-10-12(14-15-17)9-16-5-7-19-8-6-16/h10,13,18H,2-9,11H2,1H3
InChIKeyGUWGUBPSKZWYMC-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.66
Rot. Bonds7

About 1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol

1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol (PubChem CID 46863383) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol.

Molecular Properties

Compound Name1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol
PubChem CID46863383
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol
SMILESCCCCC(O)Cn1cc(CN2CCOCC2)nn1
InChIInChI=1S/C13H24N4O2/c1-2-3-4-13(18)11-17-10-12(14-15-17)9-16-5-7-19-8-6-16/h10,13,18H,2-9,11H2,1H3
InChIKeyGUWGUBPSKZWYMC-UHFFFAOYSA-N
XLogP0.66
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol?
The IUPAC name of 1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol (CID 46863383) is 1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol.
What is the SMILES notation for 1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol?
The canonical SMILES for 1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol is CCCCC(O)Cn1cc(CN2CCOCC2)nn1.
What is the InChIKey of 1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol?
The InChIKey is GUWGUBPSKZWYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-2-3-4-13(18)11-17-10-12(14-15-17)9-16-5-7-19-8-6-16/h10,13,18H,2-9,11H2,1H3.
What are the key properties of 1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol?
1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholin-4-ylmethyl)triazol-1-yl]hexan-2-ol is sourced from PubChem (CID 46863383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).