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

C11H19N5O — CID 173103108

IUPAC1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
SMILESO=C(C1CN2C=NNC2CN1)N1CCCCC1
InChIInChI=1S/C11H19N5O/c17-11(15-4-2-1-3-5-15)9-7-16-8-13-14-10(16)6-12-9/h8-10,12,14H,1-7H2
InChIKeyPUIWHYVSBAIXOG-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.85
Rot. Bonds1

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

1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone (PubChem CID 173103108) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
PubChem CID173103108
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
SMILESO=C(C1CN2C=NNC2CN1)N1CCCCC1
InChIInChI=1S/C11H19N5O/c17-11(15-4-2-1-3-5-15)9-7-16-8-13-14-10(16)6-12-9/h8-10,12,14H,1-7H2
InChIKeyPUIWHYVSBAIXOG-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]pyrazin-6-yl(piperidin-1-yl)methanone
CID 90868092
2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
CID 91241599
1,5,6,7,8,8a-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone
CID 173102818
1,5,6,7,8,8a-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 173103056
1,5,6,7,8,8a-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
CID 173103117

Frequently Asked Questions

What is the IUPAC name of 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone?
The IUPAC name of 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone (CID 173103108) is 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone?
The canonical SMILES for 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone is O=C(C1CN2C=NNC2CN1)N1CCCCC1.
What is the InChIKey of 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone?
The InChIKey is PUIWHYVSBAIXOG-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/h8-10,12,14H,1-7H2.
What are the key properties of 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone?
1,5,6,7,8,8a-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 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 173103108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).