pyren-1-ylmethylidenehydrazine

C17H12N2 — CID 618521

IUPACpyren-1-ylmethylidenehydrazine
SMILESNN=Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H12N2/c18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H,18H2
InChIKeyAIYIPTFRVFQOMC-UHFFFAOYSA-N
MW244.30 g/mol
LogP3.88
Rot. Bonds1

About pyren-1-ylmethylidenehydrazine

pyren-1-ylmethylidenehydrazine (PubChem CID 618521) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is pyren-1-ylmethylidenehydrazine.

Molecular Properties

Compound Namepyren-1-ylmethylidenehydrazine
PubChem CID618521
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Namepyren-1-ylmethylidenehydrazine
SMILESNN=Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H12N2/c18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H,18H2
InChIKeyAIYIPTFRVFQOMC-UHFFFAOYSA-N
XLogP3.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyren-1-ylmethylidenehydrazine?
The IUPAC name of pyren-1-ylmethylidenehydrazine (CID 618521) is pyren-1-ylmethylidenehydrazine.
What is the SMILES notation for pyren-1-ylmethylidenehydrazine?
The canonical SMILES for pyren-1-ylmethylidenehydrazine is NN=Cc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of pyren-1-ylmethylidenehydrazine?
The InChIKey is AIYIPTFRVFQOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H,18H2.
What are the key properties of pyren-1-ylmethylidenehydrazine?
pyren-1-ylmethylidenehydrazine has a molecular weight of 244.30 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyren-1-ylmethylidenehydrazine is sourced from PubChem (CID 618521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).