N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine

C24H21N5O2 — CID 2846735

IUPACN-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
SMILESCOc1ccc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C24H21N5O2/c1-30-20-14-13-17(15-21(20)31-2)16-25-28-24-26-22(18-9-5-3-6-10-18)23(27-29-24)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,26,28,29)
InChIKeyYZHIMFTUQWQVDK-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.67
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine

N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine (PubChem CID 2846735) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
PubChem CID2846735
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
SMILESCOc1ccc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C24H21N5O2/c1-30-20-14-13-17(15-21(20)31-2)16-25-28-24-26-22(18-9-5-3-6-10-18)23(27-29-24)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,26,28,29)
InChIKeyYZHIMFTUQWQVDK-UHFFFAOYSA-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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Related Compounds

N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 6789971
3-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136789147
4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135538935
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 5189695
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410123
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 94848965
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5,6-dimethyl-2-phenylpyrimidin-4-amine
CID 5332826
N-[(3,4-dimethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 2829078
4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol
CID 139228404
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265253

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine (CID 2846735) is N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine is COc1ccc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine?
The InChIKey is YZHIMFTUQWQVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-30-20-14-13-17(15-21(20)31-2)16-25-28-24-26-22(18-9-5-3-6-10-18)23(27-29-24)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,26,28,29).
What are the key properties of N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine?
N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-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-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 2846735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).