N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine

C17H15N5O — CID 6410893

IUPACN-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1cccc(/C=N\Nc2nncc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H15N5O/c1-23-15-9-5-6-13(10-15)11-18-21-17-20-16(12-19-22-17)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21,22)/b18-11-
InChIKeyZAFRPIAFAGBNSV-WQRHYEAKSA-N
MW305.34 g/mol
LogP2.99
Rot. Bonds5

About N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine

N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 6410893) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID6410893
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1cccc(/C=N\Nc2nncc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H15N5O/c1-23-15-9-5-6-13(10-15)11-18-21-17-20-16(12-19-22-17)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21,22)/b18-11-
InChIKeyZAFRPIAFAGBNSV-WQRHYEAKSA-N
XLogP2.99
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine (CID 6410893) is N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine is COc1cccc(/C=N\Nc2nncc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is ZAFRPIAFAGBNSV-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H15N5O/c1-23-15-9-5-6-13(10-15)11-18-21-17-20-16(12-19-22-17)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21,22)/b18-11-.
What are the key properties of N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 305.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 6410893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).