N,N-bis(phenyldiazenyl)methanamine

C13H13N5 — CID 3038681

IUPACN,N-bis(phenyldiazenyl)methanamine
SMILESCN(/N=N/c1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C13H13N5/c1-18(16-14-12-8-4-2-5-9-12)17-15-13-10-6-3-7-11-13/h2-11H,1H3/b16-14+,17-15+
InChIKeyJTAOTQINXCVGIK-YXLFCKQPSA-N
MW239.28 g/mol
LogP4.32
Rot. Bonds4

About N,N-bis(phenyldiazenyl)methanamine

N,N-bis(phenyldiazenyl)methanamine (PubChem CID 3038681) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N,N-bis(phenyldiazenyl)methanamine.

Molecular Properties

Compound NameN,N-bis(phenyldiazenyl)methanamine
PubChem CID3038681
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN,N-bis(phenyldiazenyl)methanamine
SMILESCN(/N=N/c1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C13H13N5/c1-18(16-14-12-8-4-2-5-9-12)17-15-13-10-6-3-7-11-13/h2-11H,1H3/b16-14+,17-15+
InChIKeyJTAOTQINXCVGIK-YXLFCKQPSA-N
XLogP4.32
TPSA52.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 N,N-bis(phenyldiazenyl)methanamine?
The IUPAC name of N,N-bis(phenyldiazenyl)methanamine (CID 3038681) is N,N-bis(phenyldiazenyl)methanamine.
What is the SMILES notation for N,N-bis(phenyldiazenyl)methanamine?
The canonical SMILES for N,N-bis(phenyldiazenyl)methanamine is CN(/N=N/c1ccccc1)/N=N/c1ccccc1.
What is the InChIKey of N,N-bis(phenyldiazenyl)methanamine?
The InChIKey is JTAOTQINXCVGIK-YXLFCKQPSA-N. The full InChI is InChI=1S/C13H13N5/c1-18(16-14-12-8-4-2-5-9-12)17-15-13-10-6-3-7-11-13/h2-11H,1H3/b16-14+,17-15+.
What are the key properties of N,N-bis(phenyldiazenyl)methanamine?
N,N-bis(phenyldiazenyl)methanamine has a molecular weight of 239.28 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(phenyldiazenyl)methanamine is sourced from PubChem (CID 3038681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).