1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one

C15H14N6O2 — CID 57137761

IUPAC1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one
SMILESCOc1cccnc1-n1cnc(NNc2ccccc2)nc1=O
InChIInChI=1S/C15H14N6O2/c1-23-12-8-5-9-16-13(12)21-10-17-14(18-15(21)22)20-19-11-6-3-2-4-7-11/h2-10,19H,1H3,(H,18,20,22)
InChIKeyZSMVEZOVPXTXDL-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.47
Rot. Bonds5

About 1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one

1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one (PubChem CID 57137761) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one
PubChem CID57137761
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one
SMILESCOc1cccnc1-n1cnc(NNc2ccccc2)nc1=O
InChIInChI=1S/C15H14N6O2/c1-23-12-8-5-9-16-13(12)21-10-17-14(18-15(21)22)20-19-11-6-3-2-4-7-11/h2-10,19H,1H3,(H,18,20,22)
InChIKeyZSMVEZOVPXTXDL-UHFFFAOYSA-N
XLogP1.47
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one (CID 57137761) is 1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one is COc1cccnc1-n1cnc(NNc2ccccc2)nc1=O.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one?
The InChIKey is ZSMVEZOVPXTXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-23-12-8-5-9-16-13(12)21-10-17-14(18-15(21)22)20-19-11-6-3-2-4-7-11/h2-10,19H,1H3,(H,18,20,22).
What are the key properties of 1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one?
1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one has a molecular weight of 310.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 57137761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).