(3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one

C24H32N8O — CID 126231131

IUPAC(3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=N\N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc21
InChIInChI=1S/C24H32N8O/c1-3-32-19-13-7-6-12-18(19)20(21(32)33)28-29(2)22-25-23(30-14-8-4-9-15-30)27-24(26-22)31-16-10-5-11-17-31/h6-7,12-13H,3-5,8-11,14-17H2,1-2H3/b28-20-
InChIKeyNZXSPWGXQKZJBK-RRAHZORUSA-N
MW448.58 g/mol
LogP3.06
Rot. Bonds5

About (3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one

(3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one (PubChem CID 126231131) has the molecular formula C24H32N8O and a molecular weight of 448.58 g/mol. Its IUPAC name is (3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one
PubChem CID126231131
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
IUPAC Name(3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=N\N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc21
InChIInChI=1S/C24H32N8O/c1-3-32-19-13-7-6-12-18(19)20(21(32)33)28-29(2)22-25-23(30-14-8-4-9-15-30)27-24(26-22)31-16-10-5-11-17-31/h6-7,12-13H,3-5,8-11,14-17H2,1-2H3/b28-20-
InChIKeyNZXSPWGXQKZJBK-RRAHZORUSA-N
XLogP3.06
TPSA81.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one?
The IUPAC name of (3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one (CID 126231131) is (3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one.
What is the SMILES notation for (3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one?
The canonical SMILES for (3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one is CCN1C(=O)/C(=N\N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc21.
What is the InChIKey of (3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one?
The InChIKey is NZXSPWGXQKZJBK-RRAHZORUSA-N. The full InChI is InChI=1S/C24H32N8O/c1-3-32-19-13-7-6-12-18(19)20(21(32)33)28-29(2)22-25-23(30-14-8-4-9-15-30)27-24(26-22)31-16-10-5-11-17-31/h6-7,12-13H,3-5,8-11,14-17H2,1-2H3/b28-20-.
What are the key properties of (3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one?
(3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one has a molecular weight of 448.58 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one is sourced from PubChem (CID 126231131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).