1,4,7-triazecan-9-ylmethanol

C8H19N3O — CID 102398679

IUPAC1,4,7-triazecan-9-ylmethanol
SMILESOCC1CNCCNCCNC1
InChIInChI=1S/C8H19N3O/c12-7-8-5-10-3-1-9-2-4-11-6-8/h8-12H,1-7H2
InChIKeyOCEFDQVIPFSTGY-UHFFFAOYSA-N
MW173.26 g/mol
LogP-1.62
Rot. Bonds1

About 1,4,7-triazecan-9-ylmethanol

1,4,7-triazecan-9-ylmethanol (PubChem CID 102398679) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1,4,7-triazecan-9-ylmethanol.

Molecular Properties

Compound Name1,4,7-triazecan-9-ylmethanol
PubChem CID102398679
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1,4,7-triazecan-9-ylmethanol
SMILESOCC1CNCCNCCNC1
InChIInChI=1S/C8H19N3O/c12-7-8-5-10-3-1-9-2-4-11-6-8/h8-12H,1-7H2
InChIKeyOCEFDQVIPFSTGY-UHFFFAOYSA-N
XLogP-1.62
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-3-ylmethanol
CID 161361606
6-(hydroxymethyl)azepan-4-ol
CID 164538726
[(6R)-1-methyl-1,4-diazepan-6-yl]methanol
CID 92669951
[(6S)-1-methyl-1,4-diazepan-6-yl]methanol
CID 92669953
(3R,5S)-5-(hydroxymethyl)piperidin-3-ol
CID 55287998
(3S)-5-(hydroxymethyl)piperidin-3-ol
CID 59011067
[(3R,5S)-5-fluoropiperidin-3-yl]methanol
CID 96532394
(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol
CID 10997956
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
[(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride
CID 166104604
ethane;5-(hydroxymethyl)piperidin-3-ol
CID 143590323
(5-methoxypiperidin-3-yl)methanol
CID 166104648

Frequently Asked Questions

What is the IUPAC name of 1,4,7-triazecan-9-ylmethanol?
The IUPAC name of 1,4,7-triazecan-9-ylmethanol (CID 102398679) is 1,4,7-triazecan-9-ylmethanol.
What is the SMILES notation for 1,4,7-triazecan-9-ylmethanol?
The canonical SMILES for 1,4,7-triazecan-9-ylmethanol is OCC1CNCCNCCNC1.
What is the InChIKey of 1,4,7-triazecan-9-ylmethanol?
The InChIKey is OCEFDQVIPFSTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c12-7-8-5-10-3-1-9-2-4-11-6-8/h8-12H,1-7H2.
What are the key properties of 1,4,7-triazecan-9-ylmethanol?
1,4,7-triazecan-9-ylmethanol has a molecular weight of 173.26 g/mol, XLogP of -1.62, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-triazecan-9-ylmethanol is sourced from PubChem (CID 102398679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).