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

C12H19N5O — CID 113430850

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)N2CCn3cnnc3C2)CCCCN1
InChIInChI=1S/C12H19N5O/c1-12(4-2-3-5-13-12)11(18)16-6-7-17-9-14-15-10(17)8-16/h9,13H,2-8H2,1H3
InChIKeyKNGDXTTXCTZQKD-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.15
Rot. Bonds1

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

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone (PubChem CID 113430850) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone
PubChem CID113430850
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)N2CCn3cnnc3C2)CCCCN1
InChIInChI=1S/C12H19N5O/c1-12(4-2-3-5-13-12)11(18)16-6-7-17-9-14-15-10(17)8-16/h9,13H,2-8H2,1H3
InChIKeyKNGDXTTXCTZQKD-UHFFFAOYSA-N
XLogP0.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 104597039
4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione
CID 113430865
2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 104678296
2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 64576761
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 106313796
(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 104596814
1-(2-methylpiperidine-2-carbonyl)-1,4-diazepan-5-one
CID 104596776
N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
CID 64576019
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596862
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone
CID 79385316
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596766

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone (CID 113430850) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone is CC1(C(=O)N2CCn3cnnc3C2)CCCCN1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone?
The InChIKey is KNGDXTTXCTZQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-12(4-2-3-5-13-12)11(18)16-6-7-17-9-14-15-10(17)8-16/h9,13H,2-8H2,1H3.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone has a molecular weight of 249.32 g/mol, XLogP of 0.15, 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-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 113430850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).