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

C12H14N4O — CID 117155027

IUPAC(2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol
SMILESOCC1CCCc2nc(-c3ccccn3)nn21
InChIInChI=1S/C12H14N4O/c17-8-9-4-3-6-11-14-12(15-16(9)11)10-5-1-2-7-13-10/h1-2,5,7,9,17H,3-4,6,8H2
InChIKeyRRQWSCLAOWWOIS-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.21
Rot. Bonds2

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

(2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol (PubChem CID 117155027) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol.

Molecular Properties

Compound Name(2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol
PubChem CID117155027
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol
SMILESOCC1CCCc2nc(-c3ccccn3)nn21
InChIInChI=1S/C12H14N4O/c17-8-9-4-3-6-11-14-12(15-16(9)11)10-5-1-2-7-13-10/h1-2,5,7,9,17H,3-4,6,8H2
InChIKeyRRQWSCLAOWWOIS-UHFFFAOYSA-N
XLogP1.21
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol?
The IUPAC name of (2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol (CID 117155027) is (2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol.
What is the SMILES notation for (2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol?
The canonical SMILES for (2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol is OCC1CCCc2nc(-c3ccccn3)nn21.
What is the InChIKey of (2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol?
The InChIKey is RRQWSCLAOWWOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-8-9-4-3-6-11-14-12(15-16(9)11)10-5-1-2-7-13-10/h1-2,5,7,9,17H,3-4,6,8H2.
What are the key properties of (2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol?
(2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol has a molecular weight of 230.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol is sourced from PubChem (CID 117155027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).