9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine

C21H21N5 — CID 10860838

IUPAC9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine
SMILESc1ccc2c(-n3nncc3CN3CCCCC3)c3ccccc3nc2c1
InChIInChI=1S/C21H21N5/c1-6-12-25(13-7-1)15-16-14-22-24-26(16)21-17-8-2-4-10-19(17)23-20-11-5-3-9-18(20)21/h2-5,8-11,14H,1,6-7,12-13,15H2
InChIKeyPGJVSSCPMLAVGO-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.95
Rot. Bonds3

About 9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine

9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine (PubChem CID 10860838) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine.

Molecular Properties

Compound Name9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine
PubChem CID10860838
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine
SMILESc1ccc2c(-n3nncc3CN3CCCCC3)c3ccccc3nc2c1
InChIInChI=1S/C21H21N5/c1-6-12-25(13-7-1)15-16-14-22-24-26(16)21-17-8-2-4-10-19(17)23-20-11-5-3-9-18(20)21/h2-5,8-11,14H,1,6-7,12-13,15H2
InChIKeyPGJVSSCPMLAVGO-UHFFFAOYSA-N
XLogP3.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', '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 9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine?
The IUPAC name of 9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine (CID 10860838) is 9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine.
What is the SMILES notation for 9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine?
The canonical SMILES for 9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine is c1ccc2c(-n3nncc3CN3CCCCC3)c3ccccc3nc2c1.
What is the InChIKey of 9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine?
The InChIKey is PGJVSSCPMLAVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-6-12-25(13-7-1)15-16-14-22-24-26(16)21-17-8-2-4-10-19(17)23-20-11-5-3-9-18(20)21/h2-5,8-11,14H,1,6-7,12-13,15H2.
What are the key properties of 9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine?
9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine has a molecular weight of 343.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(piperidin-1-ylmethyl)triazol-1-yl]acridine is sourced from PubChem (CID 10860838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).