[2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide

C14H10N4 — CID 91084281

IUPAC[2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide
SMILES[N-]=[N+]1C(=Cc2cccnc2)C1=Cc1cccnc1
InChIInChI=1S/C14H10N4/c15-18-13(7-11-3-1-5-16-9-11)14(18)8-12-4-2-6-17-10-12/h1-10H
InChIKeyHHDYOOLMFQVHSK-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.91
Rot. Bonds2

About [2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide

[2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide (PubChem CID 91084281) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is [2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide.

Molecular Properties

Compound Name[2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide
PubChem CID91084281
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name[2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide
SMILES[N-]=[N+]1C(=Cc2cccnc2)C1=Cc1cccnc1
InChIInChI=1S/C14H10N4/c15-18-13(7-11-3-1-5-16-9-11)14(18)8-12-4-2-6-17-10-12/h1-10H
InChIKeyHHDYOOLMFQVHSK-UHFFFAOYSA-N
XLogP2.91
TPSA51.09 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide?
The IUPAC name of [2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide (CID 91084281) is [2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide.
What is the SMILES notation for [2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide?
The canonical SMILES for [2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide is [N-]=[N+]1C(=Cc2cccnc2)C1=Cc1cccnc1.
What is the InChIKey of [2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide?
The InChIKey is HHDYOOLMFQVHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-18-13(7-11-3-1-5-16-9-11)14(18)8-12-4-2-6-17-10-12/h1-10H.
What are the key properties of [2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide?
[2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide has a molecular weight of 234.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(pyridin-3-ylmethylidene)aziridin-1-ium-1-ylidene]azanide is sourced from PubChem (CID 91084281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).