methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C27H32N8O4 — CID 167667996

IUPACmethane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC.C=C1CCC(n2nc3cc(C)ccn3c2=O)C(=O)N1.C=C1CCC(n2nc3ccc(C)cn3c2=O)C(=O)N1
InChIInChI=1S/2C13H14N4O2.CH4/c1-8-3-6-11-15-17(13(19)16(11)7-8)10-5-4-9(2)14-12(10)18;1-8-5-6-16-11(7-8)15-17(13(16)19)10-4-3-9(2)14-12(10)18;/h3,6-7,10H,2,4-5H2,1H3,(H,14,18);5-7,10H,2-4H2,1H3,(H,14,18);1H4
InChIKeySXLUXYDHLWWWMV-UHFFFAOYSA-N
MW532.61 g/mol
LogP2.17
Rot. Bonds2

About methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 167667996) has the molecular formula C27H32N8O4 and a molecular weight of 532.61 g/mol. Its IUPAC name is methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Namemethane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID167667996
Molecular FormulaC27H32N8O4
Molecular Weight532.61 g/mol
Exact Mass532.25
IUPAC Namemethane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC.C=C1CCC(n2nc3cc(C)ccn3c2=O)C(=O)N1.C=C1CCC(n2nc3ccc(C)cn3c2=O)C(=O)N1
InChIInChI=1S/2C13H14N4O2.CH4/c1-8-3-6-11-15-17(13(19)16(11)7-8)10-5-4-9(2)14-12(10)18;1-8-5-6-16-11(7-8)15-17(13(16)19)10-4-3-9(2)14-12(10)18;/h3,6-7,10H,2,4-5H2,1H3,(H,14,18);5-7,10H,2-4H2,1H3,(H,14,18);1H4
InChIKeySXLUXYDHLWWWMV-UHFFFAOYSA-N
XLogP2.17
TPSA136.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.61
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 167667996) is methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is C.C=C1CCC(n2nc3cc(C)ccn3c2=O)C(=O)N1.C=C1CCC(n2nc3ccc(C)cn3c2=O)C(=O)N1.
What is the InChIKey of methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is SXLUXYDHLWWWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14N4O2.CH4/c1-8-3-6-11-15-17(13(19)16(11)7-8)10-5-4-9(2)14-12(10)18;1-8-5-6-16-11(7-8)15-17(13(16)19)10-4-3-9(2)14-12(10)18;/h3,6-7,10H,2,4-5H2,1H3,(H,14,18);5-7,10H,2-4H2,1H3,(H,14,18);1H4.
What are the key properties of methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 532.61 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 167667996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).