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

C11H17N5O — CID 79385316

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H17N5O/c1-8-9(2-3-12-8)11(17)15-4-5-16-7-13-14-10(16)6-15/h7-9,12H,2-6H2,1H3
InChIKeyXNGKARXWOUYKIY-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.38
Rot. Bonds1

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

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 79385316) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone
PubChem CID79385316
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H17N5O/c1-8-9(2-3-12-8)11(17)15-4-5-16-7-13-14-10(16)6-15/h7-9,12H,2-6H2,1H3
InChIKeyXNGKARXWOUYKIY-UHFFFAOYSA-N
XLogP-0.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone (CID 79385316) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone is CC1NCCC1C(=O)N1CCn2cnnc2C1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is XNGKARXWOUYKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8-9(2-3-12-8)11(17)15-4-5-16-7-13-14-10(16)6-15/h7-9,12H,2-6H2,1H3.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 79385316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).