3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol

C12H19N3O — CID 117153184

IUPAC3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESOC1CCCn2c1nnc2C1CCCCC1
InChIInChI=1S/C12H19N3O/c16-10-7-4-8-15-11(13-14-12(10)15)9-5-2-1-3-6-9/h9-10,16H,1-8H2
InChIKeyQNJMRMLEFQQFTB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds1

About 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol

3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol (PubChem CID 117153184) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

Molecular Properties

Compound Name3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
PubChem CID117153184
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESOC1CCCn2c1nnc2C1CCCCC1
InChIInChI=1S/C12H19N3O/c16-10-7-4-8-15-11(13-14-12(10)15)9-5-2-1-3-6-9/h9-10,16H,1-8H2
InChIKeyQNJMRMLEFQQFTB-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol with MolForge

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Related Compounds

3-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117153176
3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117152584
3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117153179
3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105476515
3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117152624
3-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117153207
3-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105459210
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 137004647
3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117152777
3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117158718
3-cycloheptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532693
3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117152496

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The IUPAC name of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol (CID 117153184) is 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol.
What is the SMILES notation for 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The canonical SMILES for 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol is OC1CCCn2c1nnc2C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The InChIKey is QNJMRMLEFQQFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-10-7-4-8-15-11(13-14-12(10)15)9-5-2-1-3-6-9/h9-10,16H,1-8H2.
What are the key properties of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol has a molecular weight of 221.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol is sourced from PubChem (CID 117153184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).