N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide

C24H21N7O2 — CID 46885547

IUPACN-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide
SMILESCN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C24H21N7O2/c1-30(2)22-27-23-25-20(18-14-9-15-33-18)29-31(23)24(28-22)26-21(32)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,19H,1-2H3,(H,25,26,27,28,29,32)
InChIKeySBBSNIXRGIGYMZ-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.62
Rot. Bonds6

About N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide

N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide (PubChem CID 46885547) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide
PubChem CID46885547
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC NameN-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide
SMILESCN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C24H21N7O2/c1-30(2)22-27-23-25-20(18-14-9-15-33-18)29-31(23)24(28-22)26-21(32)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,19H,1-2H3,(H,25,26,27,28,29,32)
InChIKeySBBSNIXRGIGYMZ-UHFFFAOYSA-N
XLogP3.62
TPSA101.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide (CID 46885547) is N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide is CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide?
The InChIKey is SBBSNIXRGIGYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-30(2)22-27-23-25-20(18-14-9-15-33-18)29-31(23)24(28-22)26-21(32)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,19H,1-2H3,(H,25,26,27,28,29,32).
What are the key properties of N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide?
N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide has a molecular weight of 439.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 46885547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).