1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol

C11H13ClN6O — CID 55125041

IUPAC1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol
SMILESOC1CCCN(c2nc(Cl)nc(-n3cccn3)n2)C1
InChIInChI=1S/C11H13ClN6O/c12-9-14-10(17-5-1-3-8(19)7-17)16-11(15-9)18-6-2-4-13-18/h2,4,6,8,19H,1,3,5,7H2
InChIKeyCHCAUDZOSSFXGL-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.67
Rot. Bonds2

About 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol

1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol (PubChem CID 55125041) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol
PubChem CID55125041
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol
SMILESOC1CCCN(c2nc(Cl)nc(-n3cccn3)n2)C1
InChIInChI=1S/C11H13ClN6O/c12-9-14-10(17-5-1-3-8(19)7-17)16-11(15-9)18-6-2-4-13-18/h2,4,6,8,19H,1,3,5,7H2
InChIKeyCHCAUDZOSSFXGL-UHFFFAOYSA-N
XLogP0.67
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol?
The IUPAC name of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol (CID 55125041) is 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol.
What is the SMILES notation for 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol?
The canonical SMILES for 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol is OC1CCCN(c2nc(Cl)nc(-n3cccn3)n2)C1.
What is the InChIKey of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol?
The InChIKey is CHCAUDZOSSFXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c12-9-14-10(17-5-1-3-8(19)7-17)16-11(15-9)18-6-2-4-13-18/h2,4,6,8,19H,1,3,5,7H2.
What are the key properties of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol?
1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol has a molecular weight of 280.72 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol is sourced from PubChem (CID 55125041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).