2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile

C13H8N6O — CID 163611067

IUPAC2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C13H8N6O/c14-8-11(9-15)19-18-10-2-4-12(5-3-10)20-13-16-6-1-7-17-13/h1-7,18H
InChIKeyHFYGHOLMUPDMTI-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.08
Rot. Bonds4

About 2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile

2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile (PubChem CID 163611067) has the molecular formula C13H8N6O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile
PubChem CID163611067
Molecular FormulaC13H8N6O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C13H8N6O/c14-8-11(9-15)19-18-10-2-4-12(5-3-10)20-13-16-6-1-7-17-13/h1-7,18H
InChIKeyHFYGHOLMUPDMTI-UHFFFAOYSA-N
XLogP2.08
TPSA106.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'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 2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile (CID 163611067) is 2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is HFYGHOLMUPDMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6O/c14-8-11(9-15)19-18-10-2-4-12(5-3-10)20-13-16-6-1-7-17-13/h1-7,18H.
What are the key properties of 2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile?
2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 264.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 163611067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).