2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile

C12H10N6O — CID 169341253

IUPAC2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile
SMILESCN1Cc2cccc(NN=C(C#N)C#N)c2NC1=O
InChIInChI=1S/C12H10N6O/c1-18-7-8-3-2-4-10(11(8)15-12(18)19)17-16-9(5-13)6-14/h2-4,17H,7H2,1H3,(H,15,19)
InChIKeyAHELOXFDGONAIP-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.48
Rot. Bonds2

About 2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile

2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile (PubChem CID 169341253) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile
PubChem CID169341253
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile
SMILESCN1Cc2cccc(NN=C(C#N)C#N)c2NC1=O
InChIInChI=1S/C12H10N6O/c1-18-7-8-3-2-4-10(11(8)15-12(18)19)17-16-9(5-13)6-14/h2-4,17H,7H2,1H3,(H,15,19)
InChIKeyAHELOXFDGONAIP-UHFFFAOYSA-N
XLogP1.48
TPSA104.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile (CID 169341253) is 2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile is CN1Cc2cccc(NN=C(C#N)C#N)c2NC1=O.
What is the InChIKey of 2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile?
The InChIKey is AHELOXFDGONAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c1-18-7-8-3-2-4-10(11(8)15-12(18)19)17-16-9(5-13)6-14/h2-4,17H,7H2,1H3,(H,15,19).
What are the key properties of 2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile?
2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile has a molecular weight of 254.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-oxo-1,4-dihydroquinazolin-8-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).