6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine

C25H24N8O3 — CID 46495360

IUPAC6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine
SMILESC/C(=N\Nc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H24N8O3/c1-17(18-9-11-20(12-10-18)33(34)35)30-31-24-27-23(28-25(29-24)32-13-15-36-16-14-32)26-22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-16H2,1H3,(H2,26,27,28,29,31)/b30-17+
InChIKeyVWDZMQVTPVYLBW-OCSSWDANSA-N
MW484.52 g/mol
LogP4.35
Rot. Bonds7

About 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine

6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine (PubChem CID 46495360) has the molecular formula C25H24N8O3 and a molecular weight of 484.52 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine
PubChem CID46495360
Molecular FormulaC25H24N8O3
Molecular Weight484.52 g/mol
Exact Mass484.20
IUPAC Name6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine
SMILESC/C(=N\Nc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H24N8O3/c1-17(18-9-11-20(12-10-18)33(34)35)30-31-24-27-23(28-25(29-24)32-13-15-36-16-14-32)26-22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-16H2,1H3,(H2,26,27,28,29,31)/b30-17+
InChIKeyVWDZMQVTPVYLBW-OCSSWDANSA-N
XLogP4.35
TPSA130.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine (CID 46495360) is 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine is C/C(=N\Nc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine?
The InChIKey is VWDZMQVTPVYLBW-OCSSWDANSA-N. The full InChI is InChI=1S/C25H24N8O3/c1-17(18-9-11-20(12-10-18)33(34)35)30-31-24-27-23(28-25(29-24)32-13-15-36-16-14-32)26-22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-16H2,1H3,(H2,26,27,28,29,31)/b30-17+.
What are the key properties of 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine has a molecular weight of 484.52 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 46495360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).