2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile

C13H10N6 — CID 169340968

IUPAC2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1cn(-c2ccc(NN=C(C#N)C#N)cc2)cn1
InChIInChI=1S/C13H10N6/c1-10-8-19(9-16-10)13-4-2-11(3-5-13)17-18-12(6-14)7-15/h2-5,8-9,17H,1H3
InChIKeyYJKBSKJKSMQJJR-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.00
Rot. Bonds3

About 2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340968) has the molecular formula C13H10N6 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340968
Molecular FormulaC13H10N6
Molecular Weight250.26 g/mol
Exact Mass250.10
IUPAC Name2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1cn(-c2ccc(NN=C(C#N)C#N)cc2)cn1
InChIInChI=1S/C13H10N6/c1-10-8-19(9-16-10)13-4-2-11(3-5-13)17-18-12(6-14)7-15/h2-5,8-9,17H,1H3
InChIKeyYJKBSKJKSMQJJR-UHFFFAOYSA-N
XLogP2.00
TPSA89.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.00
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-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169340968) is 2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile is Cc1cn(-c2ccc(NN=C(C#N)C#N)cc2)cn1.
What is the InChIKey of 2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is YJKBSKJKSMQJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6/c1-10-8-19(9-16-10)13-4-2-11(3-5-13)17-18-12(6-14)7-15/h2-5,8-9,17H,1H3.
What are the key properties of 2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 250.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylimidazol-1-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).