1-diazo-2H-acridine

C13H9N3 — CID 53442907

IUPAC1-diazo-2H-acridine
SMILES[N-]=[N+]=C1CC=Cc2nc3ccccc3cc21
InChIInChI=1S/C13H9N3/c14-16-13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)15-12/h1-6,8H,7H2
InChIKeyUFVKMNASOFPPPR-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.67
Rot. Bonds

About 1-diazo-2H-acridine

1-diazo-2H-acridine (PubChem CID 53442907) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-diazo-2H-acridine.

Molecular Properties

Compound Name1-diazo-2H-acridine
PubChem CID53442907
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name1-diazo-2H-acridine
SMILES[N-]=[N+]=C1CC=Cc2nc3ccccc3cc21
InChIInChI=1S/C13H9N3/c14-16-13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)15-12/h1-6,8H,7H2
InChIKeyUFVKMNASOFPPPR-UHFFFAOYSA-N
XLogP2.67
TPSA49.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-diazo-2H-chrysene
CID 154175464
2H-acridin-1-one;10H-benzo[a]anthracen-9-one
CID 87308673
acridine-1,2-dione;quinoline
CID 174809652
acridine
CID 21226281
quinolino[3,2-a]acridine-1,2-dione
CID 164521967
acridine;methane
CID 21324126
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240
acridine;dihydrate
CID 172843020
acridine;argon
CID 157415582
acridine;1,2-dihydroquinoline
CID 174729818
CID 57181596
CID 57181596

Frequently Asked Questions

What is the IUPAC name of 1-diazo-2H-acridine?
The IUPAC name of 1-diazo-2H-acridine (CID 53442907) is 1-diazo-2H-acridine.
What is the SMILES notation for 1-diazo-2H-acridine?
The canonical SMILES for 1-diazo-2H-acridine is [N-]=[N+]=C1CC=Cc2nc3ccccc3cc21.
What is the InChIKey of 1-diazo-2H-acridine?
The InChIKey is UFVKMNASOFPPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3/c14-16-13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)15-12/h1-6,8H,7H2.
What are the key properties of 1-diazo-2H-acridine?
1-diazo-2H-acridine has a molecular weight of 207.24 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-2H-acridine is sourced from PubChem (CID 53442907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).