N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine

C21H17N5O — CID 6409934

IUPACN-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
SMILESC/C(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccco1
InChIInChI=1S/C21H17N5O/c1-15(18-13-8-14-27-18)23-25-21-22-19(16-9-4-2-5-10-16)20(24-26-21)17-11-6-3-7-12-17/h2-14H,1H3,(H,22,25,26)/b23-15-
InChIKeyHYZDZIPLQLVVAH-HAHDFKILSA-N
MW355.40 g/mol
LogP4.63
Rot. Bonds5

About N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine

N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine (PubChem CID 6409934) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
PubChem CID6409934
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
SMILESC/C(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccco1
InChIInChI=1S/C21H17N5O/c1-15(18-13-8-14-27-18)23-25-21-22-19(16-9-4-2-5-10-16)20(24-26-21)17-11-6-3-7-12-17/h2-14H,1H3,(H,22,25,26)/b23-15-
InChIKeyHYZDZIPLQLVVAH-HAHDFKILSA-N
XLogP4.63
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.63
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)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine (CID 6409934) is N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine is C/C(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccco1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine?
The InChIKey is HYZDZIPLQLVVAH-HAHDFKILSA-N. The full InChI is InChI=1S/C21H17N5O/c1-15(18-13-8-14-27-18)23-25-21-22-19(16-9-4-2-5-10-16)20(24-26-21)17-11-6-3-7-12-17/h2-14H,1H3,(H,22,25,26)/b23-15-.
What are the key properties of N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine?
N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine has a molecular weight of 355.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 6409934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).