CID 173173087

C18H16N4 — CID 173173087

IUPAC—
SMILESNN=NN.c1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C18H12.H4N4/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;1-3-4-2/h1-12H;(H2,1,4)(H2,2,3)
InChIKeyZHSNTLAXEMZTQX-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.33
Rot. Bonds

About CID 173173087

CID 173173087 (PubChem CID 173173087) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol.

Molecular Properties

Compound NameCID 173173087
PubChem CID173173087
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name—
SMILESNN=NN.c1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C18H12.H4N4/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;1-3-4-2/h1-12H;(H2,1,4)(H2,2,3)
InChIKeyZHSNTLAXEMZTQX-UHFFFAOYSA-N
XLogP4.33
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173173087?
The IUPAC name of CID 173173087 (CID 173173087) is not available.
What is the SMILES notation for CID 173173087?
The canonical SMILES for CID 173173087 is NN=NN.c1ccc2cc3cc4ccccc4cc3cc2c1.
What is the InChIKey of CID 173173087?
The InChIKey is ZHSNTLAXEMZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.H4N4/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;1-3-4-2/h1-12H;(H2,1,4)(H2,2,3).
What are the key properties of CID 173173087?
CID 173173087 has a molecular weight of 288.35 g/mol, XLogP of 4.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173173087 is sourced from PubChem (CID 173173087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).