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

C11H20N6O — CID 173103117

IUPAC1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)C1CN2C=NNC2CN1
InChIInChI=1S/C11H20N6O/c1-8-4-12-2-3-17(8)11(18)9-6-16-7-14-15-10(16)5-13-9/h7-10,12-13,15H,2-6H2,1H3
InChIKeyRVCQXUVRWQSTMZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-2.05
Rot. Bonds1

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

1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone (PubChem CID 173103117) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
PubChem CID173103117
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)C1CN2C=NNC2CN1
InChIInChI=1S/C11H20N6O/c1-8-4-12-2-3-17(8)11(18)9-6-16-7-14-15-10(16)5-13-9/h7-10,12-13,15H,2-6H2,1H3
InChIKeyRVCQXUVRWQSTMZ-UHFFFAOYSA-N
XLogP-2.05
TPSA72.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone (CID 173103117) is 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-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-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)C1CN2C=NNC2CN1.
What is the InChIKey of 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone?
The InChIKey is RVCQXUVRWQSTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-8-4-12-2-3-17(8)11(18)9-6-16-7-14-15-10(16)5-13-9/h7-10,12-13,15H,2-6H2,1H3.
What are the key properties of 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone?
1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of -2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 6 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-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 173103117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).