2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile

C14H10N6 — CID 2819708

IUPAC2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1nccc(-c2cccc(NN=C(C#N)C#N)c2)n1
InChIInChI=1S/C14H10N6/c1-10-17-6-5-14(18-10)11-3-2-4-12(7-11)19-20-13(8-15)9-16/h2-7,19H,1H3
InChIKeyFZYJPXJUGSAYLI-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.27
Rot. Bonds3

About 2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 2819708) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID2819708
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1nccc(-c2cccc(NN=C(C#N)C#N)c2)n1
InChIInChI=1S/C14H10N6/c1-10-17-6-5-14(18-10)11-3-2-4-12(7-11)19-20-13(8-15)9-16/h2-7,19H,1H3
InChIKeyFZYJPXJUGSAYLI-UHFFFAOYSA-N
XLogP2.27
TPSA97.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile (CID 2819708) is 2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile is Cc1nccc(-c2cccc(NN=C(C#N)C#N)c2)n1.
What is the InChIKey of 2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is FZYJPXJUGSAYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6/c1-10-17-6-5-14(18-10)11-3-2-4-12(7-11)19-20-13(8-15)9-16/h2-7,19H,1H3.
What are the key properties of 2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 262.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpyrimidin-4-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 2819708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).