N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine

C24H21N5O2 — CID 24834231

IUPACN-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2nnc(N/N=C/c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H21N5O2/c1-30-20-12-8-18(9-13-20)22-23(19-10-14-21(31-2)15-11-19)27-29-24(26-22)28-25-16-17-6-4-3-5-7-17/h3-16H,1-2H3,(H,26,28,29)/b25-16+
InChIKeyWTFKEWNCEPGJSA-PCLIKHOPSA-N
MW411.47 g/mol
LogP4.67
Rot. Bonds7

About N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine

N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 24834231) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID24834231
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2nnc(N/N=C/c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H21N5O2/c1-30-20-12-8-18(9-13-20)22-23(19-10-14-21(31-2)15-11-19)27-29-24(26-22)28-25-16-17-6-4-3-5-7-17/h3-16H,1-2H3,(H,26,28,29)/b25-16+
InChIKeyWTFKEWNCEPGJSA-PCLIKHOPSA-N
XLogP4.67
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine (CID 24834231) is N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine is COc1ccc(-c2nnc(N/N=C/c3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is WTFKEWNCEPGJSA-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-30-20-12-8-18(9-13-20)22-23(19-10-14-21(31-2)15-11-19)27-29-24(26-22)28-25-16-17-6-4-3-5-7-17/h3-16H,1-2H3,(H,26,28,29)/b25-16+.
What are the key properties of N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine?
N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 411.47 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 24834231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).