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

C15H12N6 — CID 7767197

IUPAC5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine
SMILESC(=N\Nc1nncc(-c2ccccc2)n1)\c1ccccn1
InChIInChI=1S/C15H12N6/c1-2-6-12(7-3-1)14-11-18-21-15(19-14)20-17-10-13-8-4-5-9-16-13/h1-11H,(H,19,20,21)/b17-10-
InChIKeyYGSVMPKXQQZYIQ-YVLHZVERSA-N
MW276.30 g/mol
LogP2.38
Rot. Bonds4

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

5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine (PubChem CID 7767197) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine
PubChem CID7767197
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine
SMILESC(=N\Nc1nncc(-c2ccccc2)n1)\c1ccccn1
InChIInChI=1S/C15H12N6/c1-2-6-12(7-3-1)14-11-18-21-15(19-14)20-17-10-13-8-4-5-9-16-13/h1-11H,(H,19,20,21)/b17-10-
InChIKeyYGSVMPKXQQZYIQ-YVLHZVERSA-N
XLogP2.38
TPSA75.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.38
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 5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine?
The IUPAC name of 5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine (CID 7767197) is 5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine is C(=N\Nc1nncc(-c2ccccc2)n1)\c1ccccn1.
What is the InChIKey of 5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine?
The InChIKey is YGSVMPKXQQZYIQ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H12N6/c1-2-6-12(7-3-1)14-11-18-21-15(19-14)20-17-10-13-8-4-5-9-16-13/h1-11H,(H,19,20,21)/b17-10-.
What are the key properties of 5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine?
5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine has a molecular weight of 276.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine is sourced from PubChem (CID 7767197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).