6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one

C13H21N5O — CID 138059223

IUPAC6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N/C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H21N5O/c1-8-10(15-11(19)17-16-8)14-9-6-12(2,3)18-13(4,5)7-9/h9,18H,1,6-7H2,2-5H3,(H,14,15,19)
InChIKeyMUNMAKQRDNYPIA-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.38
Rot. Bonds1

About 6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one

6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one (PubChem CID 138059223) has the molecular formula C13H21N5O and a molecular weight of 263.35 g/mol. Its IUPAC name is 6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one.

Molecular Properties

Compound Name6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one
PubChem CID138059223
Molecular FormulaC13H21N5O
Molecular Weight263.35 g/mol
Exact Mass263.17
IUPAC Name6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N/C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H21N5O/c1-8-10(15-11(19)17-16-8)14-9-6-12(2,3)18-13(4,5)7-9/h9,18H,1,6-7H2,2-5H3,(H,14,15,19)
InChIKeyMUNMAKQRDNYPIA-UHFFFAOYSA-N
XLogP2.38
TPSA78.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-ethylimino-6-methylidene-1,2,4-triazin-3-one
CID 137268634
(5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one
CID 137265633
5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one
CID 137266504
5-methylidene-1,2,4-triazol-3-one
CID 54344768
3-ethyl-5-methylidene-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one
CID 163990250
3-cyclododecylimino-6-methylidene-1,2,4-triazin-5-one
CID 178188763
2,2,6,6-tetramethylpiperidin-4-ol;1,4-xylene
CID 159783598
bis(2,2,6,6-tetramethylpiperidin-4-one);hydrochloride
CID 137463991
dimethyl-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]silane
CID 579977
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) silicate
CID 18781767
7-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)indeno[1,2-b]pyridin-5-imine
CID 580076
(2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine
CID 170302183

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one?
The IUPAC name of 6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one (CID 138059223) is 6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one.
What is the SMILES notation for 6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one?
The canonical SMILES for 6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one is C=C1N=NC(=O)N/C1=N/C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one?
The InChIKey is MUNMAKQRDNYPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-8-10(15-11(19)17-16-8)14-9-6-12(2,3)18-13(4,5)7-9/h9,18H,1,6-7H2,2-5H3,(H,14,15,19).
What are the key properties of 6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one?
6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one has a molecular weight of 263.35 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one is sourced from PubChem (CID 138059223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).