[7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol

C19H27N5O — CID 46966008

IUPAC[7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
SMILESOCc1nnc2n1CCN(CC1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C19H27N5O/c25-15-19-21-20-18-14-23(10-11-24(18)19)13-17-6-8-22(9-7-17)12-16-4-2-1-3-5-16/h1-5,17,25H,6-15H2
InChIKeyBKNKCRYAVMDGPQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.50
Rot. Bonds5

About [7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol

[7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (PubChem CID 46966008) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.

Molecular Properties

Compound Name[7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
PubChem CID46966008
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
SMILESOCc1nnc2n1CCN(CC1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C19H27N5O/c25-15-19-21-20-18-14-23(10-11-24(18)19)13-17-6-8-22(9-7-17)12-16-4-2-1-3-5-16/h1-5,17,25H,6-15H2
InChIKeyBKNKCRYAVMDGPQ-UHFFFAOYSA-N
XLogP1.50
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The IUPAC name of [7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (CID 46966008) is [7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.
What is the SMILES notation for [7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The canonical SMILES for [7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is OCc1nnc2n1CCN(CC1CCN(Cc3ccccc3)CC1)C2.
What is the InChIKey of [7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The InChIKey is BKNKCRYAVMDGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c25-15-19-21-20-18-14-23(10-11-24(18)19)13-17-6-8-22(9-7-17)12-16-4-2-1-3-5-16/h1-5,17,25H,6-15H2.
What are the key properties of [7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
[7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol has a molecular weight of 341.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is sourced from PubChem (CID 46966008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).