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

C13H23N5O — CID 110258511

IUPAC2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol
SMILESCN1CCn2c(nnc2C2CCCN(CCO)C2)C1
InChIInChI=1S/C13H23N5O/c1-16-5-6-18-12(10-16)14-15-13(18)11-3-2-4-17(9-11)7-8-19/h11,19H,2-10H2,1H3
InChIKeyVZSHSQVLHZQEHT-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.10
Rot. Bonds3

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

2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol (PubChem CID 110258511) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol
PubChem CID110258511
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol
SMILESCN1CCn2c(nnc2C2CCCN(CCO)C2)C1
InChIInChI=1S/C13H23N5O/c1-16-5-6-18-12(10-16)14-15-13(18)11-3-2-4-17(9-11)7-8-19/h11,19H,2-10H2,1H3
InChIKeyVZSHSQVLHZQEHT-UHFFFAOYSA-N
XLogP-0.10
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol (CID 110258511) is 2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol is CN1CCn2c(nnc2C2CCCN(CCO)C2)C1.
What is the InChIKey of 2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol?
The InChIKey is VZSHSQVLHZQEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-16-5-6-18-12(10-16)14-15-13(18)11-3-2-4-17(9-11)7-8-19/h11,19H,2-10H2,1H3.
What are the key properties of 2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol?
2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol has a molecular weight of 265.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 110258511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).