2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone

C11H19N5O — CID 90868092

IUPAC2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
SMILESO=C(C1CN2CNN=C2CN1)N1CCCCC1
InChIInChI=1S/C11H19N5O/c17-11(15-4-2-1-3-5-15)9-7-16-8-13-14-10(16)6-12-9/h9,12-13H,1-8H2
InChIKeyLKEFOKSWPGHPHP-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.85
Rot. Bonds1

About 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone

2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone (PubChem CID 90868092) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
PubChem CID90868092
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
SMILESO=C(C1CN2CNN=C2CN1)N1CCCCC1
InChIInChI=1S/C11H19N5O/c17-11(15-4-2-1-3-5-15)9-7-16-8-13-14-10(16)6-12-9/h9,12-13H,1-8H2
InChIKeyLKEFOKSWPGHPHP-UHFFFAOYSA-N
XLogP-0.85
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 90779595
2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone
CID 90873240
2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
CID 91241599
5-(3-Oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione
CID 166036165
1,5,6,7,8,8a-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
CID 173103108
1,5,6,7,8,8a-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
CID 173103117
2-(3-Oxo-3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936136
2-(2-Oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66278817
2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide
CID 102556543
(2R)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide
CID 137084095
(2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide
CID 137084096
N-[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide diformate
CID 137150699

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone?
The IUPAC name of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone (CID 90868092) is 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone is O=C(C1CN2CNN=C2CN1)N1CCCCC1.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone?
The InChIKey is LKEFOKSWPGHPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c17-11(15-4-2-1-3-5-15)9-7-16-8-13-14-10(16)6-12-9/h9,12-13H,1-8H2.
What are the key properties of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone?
2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone has a molecular weight of 237.31 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 90868092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).