2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine

C13H11N7O — CID 58677702

IUPAC2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc(C)n2nc(-c3ccco3)nc(-n3cncn3)c12
InChIInChI=1S/C13H11N7O/c1-8-11-13(19-7-14-6-15-19)17-12(10-4-3-5-21-10)18-20(11)9(2)16-8/h3-7H,1-2H3
InChIKeyWLLSWDICEYYXKS-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.58
Rot. Bonds2

About 2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine

2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine (PubChem CID 58677702) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine
PubChem CID58677702
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc(C)n2nc(-c3ccco3)nc(-n3cncn3)c12
InChIInChI=1S/C13H11N7O/c1-8-11-13(19-7-14-6-15-19)17-12(10-4-3-5-21-10)18-20(11)9(2)16-8/h3-7H,1-2H3
InChIKeyWLLSWDICEYYXKS-UHFFFAOYSA-N
XLogP1.58
TPSA86.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine (CID 58677702) is 2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine is Cc1nc(C)n2nc(-c3ccco3)nc(-n3cncn3)c12.
What is the InChIKey of 2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine?
The InChIKey is WLLSWDICEYYXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c1-8-11-13(19-7-14-6-15-19)17-12(10-4-3-5-21-10)18-20(11)9(2)16-8/h3-7H,1-2H3.
What are the key properties of 2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine?
2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine has a molecular weight of 281.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,7-dimethyl-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 58677702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).