1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole

C18H12N6 — CID 175284463

IUPAC1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole
SMILESc1ccc2c(-n3ccnn3)c3ccccc3c(-n3cncn3)c2c1
InChIInChI=1S/C18H12N6/c1-3-7-15-13(5-1)17(23-10-9-20-22-23)14-6-2-4-8-16(14)18(15)24-12-19-11-21-24/h1-12H
InChIKeyGGSXXVWWHMUXOH-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.15
Rot. Bonds2

About 1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole

1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole (PubChem CID 175284463) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole.

Molecular Properties

Compound Name1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole
PubChem CID175284463
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole
SMILESc1ccc2c(-n3ccnn3)c3ccccc3c(-n3cncn3)c2c1
InChIInChI=1S/C18H12N6/c1-3-7-15-13(5-1)17(23-10-9-20-22-23)14-6-2-4-8-16(14)18(15)24-12-19-11-21-24/h1-12H
InChIKeyGGSXXVWWHMUXOH-UHFFFAOYSA-N
XLogP3.15
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole
CID 173177206
9,10,11,12,21,22,23,24-octakis(1,2,4-triazol-1-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 58732004
4-(1,2,4-triazol-1-yl)quinolin-3-amine
CID 103963559
10-(triazol-1-yl)pyrimido[1,2-a]indole
CID 156630829
1-(1,2,4-triazol-1-yl)phthalazine
CID 55239789
1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 158822062
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
1-(triazol-1-yl)-1,2,4-triazole
CID 123871191
1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole
CID 132534548
3-methyl-4-(triazol-1-yl)quinoline-2-carboxamide
CID 69177404
copper;1-(2-methylphenyl)triazole
CID 141369525
4-(1,2,4-triazol-1-yl)quinolin-2-amine
CID 170518666

Frequently Asked Questions

What is the IUPAC name of 1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole?
The IUPAC name of 1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole (CID 175284463) is 1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole.
What is the SMILES notation for 1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole?
The canonical SMILES for 1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole is c1ccc2c(-n3ccnn3)c3ccccc3c(-n3cncn3)c2c1.
What is the InChIKey of 1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole?
The InChIKey is GGSXXVWWHMUXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-3-7-15-13(5-1)17(23-10-9-20-22-23)14-6-2-4-8-16(14)18(15)24-12-19-11-21-24/h1-12H.
What are the key properties of 1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole?
1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole has a molecular weight of 312.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole is sourced from PubChem (CID 175284463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).