1H-acridine-2,2,9-triamine

C13H14N4 — CID 23443474

IUPAC1H-acridine-2,2,9-triamine
SMILESNc1c2c(nc3ccccc13)C=CC(N)(N)C2
InChIInChI=1S/C13H14N4/c14-12-8-3-1-2-4-10(8)17-11-5-6-13(15,16)7-9(11)12/h1-6H,7,15-16H2,(H2,14,17)
InChIKeyFVJLIGALYFBPAT-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.00
Rot. Bonds

About 1H-acridine-2,2,9-triamine

1H-acridine-2,2,9-triamine (PubChem CID 23443474) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1H-acridine-2,2,9-triamine.

Molecular Properties

Compound Name1H-acridine-2,2,9-triamine
PubChem CID23443474
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1H-acridine-2,2,9-triamine
SMILESNc1c2c(nc3ccccc13)C=CC(N)(N)C2
InChIInChI=1S/C13H14N4/c14-12-8-3-1-2-4-10(8)17-11-5-6-13(15,16)7-9(11)12/h1-6H,7,15-16H2,(H2,14,17)
InChIKeyFVJLIGALYFBPAT-UHFFFAOYSA-N
XLogP1.00
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-acridine-2,2,9-triamine?
The IUPAC name of 1H-acridine-2,2,9-triamine (CID 23443474) is 1H-acridine-2,2,9-triamine.
What is the SMILES notation for 1H-acridine-2,2,9-triamine?
The canonical SMILES for 1H-acridine-2,2,9-triamine is Nc1c2c(nc3ccccc13)C=CC(N)(N)C2.
What is the InChIKey of 1H-acridine-2,2,9-triamine?
The InChIKey is FVJLIGALYFBPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-12-8-3-1-2-4-10(8)17-11-5-6-13(15,16)7-9(11)12/h1-6H,7,15-16H2,(H2,14,17).
What are the key properties of 1H-acridine-2,2,9-triamine?
1H-acridine-2,2,9-triamine has a molecular weight of 226.28 g/mol, XLogP of 1.00, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-acridine-2,2,9-triamine is sourced from PubChem (CID 23443474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).