[1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol

C20H21N5O — CID 44631786

IUPAC[1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(-c3ccccn3)nnc2-c2ccccc2)CC1
InChIInChI=1S/C20H21N5O/c26-14-15-9-12-25(13-10-15)20-18(16-6-2-1-3-7-16)23-24-19(22-20)17-8-4-5-11-21-17/h1-8,11,15,26H,9-10,12-14H2
InChIKeyVGPKJHVAVZKEKA-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.81
Rot. Bonds4

About [1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol

[1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol (PubChem CID 44631786) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol
PubChem CID44631786
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(-c3ccccn3)nnc2-c2ccccc2)CC1
InChIInChI=1S/C20H21N5O/c26-14-15-9-12-25(13-10-15)20-18(16-6-2-1-3-7-16)23-24-19(22-20)17-8-4-5-11-21-17/h1-8,11,15,26H,9-10,12-14H2
InChIKeyVGPKJHVAVZKEKA-UHFFFAOYSA-N
XLogP2.81
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol (CID 44631786) is [1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol is OCC1CCN(c2nc(-c3ccccn3)nnc2-c2ccccc2)CC1.
What is the InChIKey of [1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol?
The InChIKey is VGPKJHVAVZKEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-14-15-9-12-25(13-10-15)20-18(16-6-2-1-3-7-16)23-24-19(22-20)17-8-4-5-11-21-17/h1-8,11,15,26H,9-10,12-14H2.
What are the key properties of [1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol?
[1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol has a molecular weight of 347.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 44631786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).