[3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol

C10H13N5O — CID 136702650

IUPAC[3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nnc(-c3cn[nH]c3)n2C1
InChIInChI=1S/C10H13N5O/c16-6-7-1-2-9-13-14-10(15(9)5-7)8-3-11-12-4-8/h3-4,7,16H,1-2,5-6H2,(H,11,12)
InChIKeyOMKROTIUHMRXGB-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.22
Rot. Bonds2

About [3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol

[3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (PubChem CID 136702650) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is [3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
PubChem CID136702650
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name[3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nnc(-c3cn[nH]c3)n2C1
InChIInChI=1S/C10H13N5O/c16-6-7-1-2-9-13-14-10(15(9)5-7)8-3-11-12-4-8/h3-4,7,16H,1-2,5-6H2,(H,11,12)
InChIKeyOMKROTIUHMRXGB-UHFFFAOYSA-N
XLogP0.22
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105392032
7-methyl-3-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 167790808
3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 105392004
[3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105392053
(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 71755954
[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 95970239
[3-[3-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105391919
[3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105392017
[3-(1-methylimidazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 107979566
3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol
CID 105391998
(3-cyclooctyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 105391896
[3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105391959

Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The IUPAC name of [3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (CID 136702650) is [3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.
What is the SMILES notation for [3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The canonical SMILES for [3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is OCC1CCc2nnc(-c3cn[nH]c3)n2C1.
What is the InChIKey of [3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The InChIKey is OMKROTIUHMRXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-6-7-1-2-9-13-14-10(15(9)5-7)8-3-11-12-4-8/h3-4,7,16H,1-2,5-6H2,(H,11,12).
What are the key properties of [3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
[3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol has a molecular weight of 219.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is sourced from PubChem (CID 136702650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).