(2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide

C9HN4- — CID 12679254

IUPAC(2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide
SMILESN#CC1=CC(C#N)=C(C#N)C1=C=[N-]
InChIInChI=1S/C9HN4/c10-2-6-1-7(3-11)9(5-13)8(6)4-12/h1H/q-1
InChIKeyPJMOYMIWKJVFKO-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.96
Rot. Bonds

About (2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide

(2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide (PubChem CID 12679254) has the molecular formula C9HN4- and a molecular weight of 165.13 g/mol. Its IUPAC name is (2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide.

Molecular Properties

Compound Name(2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide
PubChem CID12679254
Molecular FormulaC9HN4-
Molecular Weight165.13 g/mol
Exact Mass165.02
IUPAC Name(2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide
SMILESN#CC1=CC(C#N)=C(C#N)C1=C=[N-]
InChIInChI=1S/C9HN4/c10-2-6-1-7(3-11)9(5-13)8(6)4-12/h1H/q-1
InChIKeyPJMOYMIWKJVFKO-UHFFFAOYSA-N
XLogP0.96
TPSA93.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide?
The IUPAC name of (2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide (CID 12679254) is (2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide.
What is the SMILES notation for (2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide?
The canonical SMILES for (2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide is N#CC1=CC(C#N)=C(C#N)C1=C=[N-].
What is the InChIKey of (2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide?
The InChIKey is PJMOYMIWKJVFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HN4/c10-2-6-1-7(3-11)9(5-13)8(6)4-12/h1H/q-1.
What are the key properties of (2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide?
(2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide has a molecular weight of 165.13 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5-tricyanocyclopenta-2,4-dien-1-ylidene)methylideneazanide is sourced from PubChem (CID 12679254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).