3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol

C11H19N3O — CID 167922361

IUPAC3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol
SMILESOCCCc1nnc2n1CCCCCC2
InChIInChI=1S/C11H19N3O/c15-9-5-7-11-13-12-10-6-3-1-2-4-8-14(10)11/h15H,1-9H2
InChIKeyIAJKXPRQPQTHDN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.32
Rot. Bonds3

About 3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol

3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol (PubChem CID 167922361) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol
PubChem CID167922361
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol
SMILESOCCCc1nnc2n1CCCCCC2
InChIInChI=1S/C11H19N3O/c15-9-5-7-11-13-12-10-6-3-1-2-4-8-14(10)11/h15H,1-9H2
InChIKeyIAJKXPRQPQTHDN-UHFFFAOYSA-N
XLogP1.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol with MolForge

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Related Compounds

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CID 24688422
1-(5,6,7,8,9,10-Hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)cyclobutan-1-ol
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2-(3-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)ethanol
CID 176159309
3-{5H,6H,7H-Pyrrolo[2,1-C][1,2,4]triazol-3-YL}propan-1-OL
CID 24688423
5-(3,5-Diethyl-1,2,4-triazol-1-yl)pentan-2-ol
CID 65700571
4-(3,5-Diethyl-1,2,4-triazol-1-yl)butan-1-ol
CID 65701178
6-(3,5-Diethyl-1,2,4-triazol-1-yl)hexan-1-ol
CID 103867928
6-(3,5-Dimethyl-1,2,4-triazol-1-yl)hexan-3-ol
CID 106802539
6-(3,5-Diethyl-1,2,4-triazol-1-yl)hexan-3-ol
CID 106802578
4-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol?
The IUPAC name of 3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol (CID 167922361) is 3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol?
The canonical SMILES for 3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol is OCCCc1nnc2n1CCCCCC2.
What is the InChIKey of 3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol?
The InChIKey is IAJKXPRQPQTHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c15-9-5-7-11-13-12-10-6-3-1-2-4-8-14(10)11/h15H,1-9H2.
What are the key properties of 3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol?
3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)propan-1-ol is sourced from PubChem (CID 167922361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).