[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone

C16H20N6O2 — CID 165421979

IUPAC[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
SMILESC[C@H]1CN(C(=O)c2ccnnc2)Cc2nnc(C3CCOCC3)n21
InChIInChI=1S/C16H20N6O2/c1-11-9-21(16(23)13-2-5-17-18-8-13)10-14-19-20-15(22(11)14)12-3-6-24-7-4-12/h2,5,8,11-12H,3-4,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyXNSYQBFCOHWGAD-NSHDSACASA-N
MW328.38 g/mol
LogP1.18
Rot. Bonds2

About [(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone

[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone (PubChem CID 165421979) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is [(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
PubChem CID165421979
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
SMILESC[C@H]1CN(C(=O)c2ccnnc2)Cc2nnc(C3CCOCC3)n21
InChIInChI=1S/C16H20N6O2/c1-11-9-21(16(23)13-2-5-17-18-8-13)10-14-19-20-15(22(11)14)12-3-6-24-7-4-12/h2,5,8,11-12H,3-4,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyXNSYQBFCOHWGAD-NSHDSACASA-N
XLogP1.18
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone with MolForge

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Related Compounds

(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 165417641
1-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 164695351
3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165418878
formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 166598304
(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697376
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 164691948
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone
CID 164692394
[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 164688192
1-[3-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]azepan-2-one
CID 164688789
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 164690316
1-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone
CID 165427113
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 164695077

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone (CID 165421979) is [(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone is C[C@H]1CN(C(=O)c2ccnnc2)Cc2nnc(C3CCOCC3)n21.
What is the InChIKey of [(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
The InChIKey is XNSYQBFCOHWGAD-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-9-21(16(23)13-2-5-17-18-8-13)10-14-19-20-15(22(11)14)12-3-6-24-7-4-12/h2,5,8,11-12H,3-4,6-7,9-10H2,1H3/t11-/m0/s1.
What are the key properties of [(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone has a molecular weight of 328.38 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 165421979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).