ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene

C9H15N5 — CID 91164172

IUPACethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene
SMILESC/N=N/C/N=N/c1ccncc1.CC
InChIInChI=1S/C7H9N5.C2H6/c1-8-10-6-11-12-7-2-4-9-5-3-7;1-2/h2-5H,6H2,1H3;1-2H3/b10-8+,12-11+;
InChIKeyVRDSGOPZXDTZAY-SAPLKWPOSA-N
MW193.25 g/mol
LogP3.23
Rot. Bonds3

About ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene

ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene (PubChem CID 91164172) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene.

Molecular Properties

Compound Nameethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene
PubChem CID91164172
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Nameethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene
SMILESC/N=N/C/N=N/c1ccncc1.CC
InChIInChI=1S/C7H9N5.C2H6/c1-8-10-6-11-12-7-2-4-9-5-3-7;1-2/h2-5H,6H2,1H3;1-2H3/b10-8+,12-11+;
InChIKeyVRDSGOPZXDTZAY-SAPLKWPOSA-N
XLogP3.23
TPSA62.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene?
The IUPAC name of ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene (CID 91164172) is ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene.
What is the SMILES notation for ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene?
The canonical SMILES for ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene is C/N=N/C/N=N/c1ccncc1.CC.
What is the InChIKey of ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene?
The InChIKey is VRDSGOPZXDTZAY-SAPLKWPOSA-N. The full InChI is InChI=1S/C7H9N5.C2H6/c1-8-10-6-11-12-7-2-4-9-5-3-7;1-2/h2-5H,6H2,1H3;1-2H3/b10-8+,12-11+;.
What are the key properties of ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene?
ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene has a molecular weight of 193.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-[(pyridin-4-yldiazenyl)methyl]diazene is sourced from PubChem (CID 91164172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).