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

C23H19N7O2 — CID 127035806

IUPACN-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C23H19N7O2/c31-19(14-16-8-3-1-4-9-16)25-22-27-21(24-15-17-10-5-2-6-11-17)28-23-26-20(29-30(22)23)18-12-7-13-32-18/h1-13H,14-15H2,(H2,24,25,26,27,28,29,31)
InChIKeyXDBHEXCFNGFAMS-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.57
Rot. Bonds7

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

N-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide (PubChem CID 127035806) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
PubChem CID127035806
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC NameN-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C23H19N7O2/c31-19(14-16-8-3-1-4-9-16)25-22-27-21(24-15-17-10-5-2-6-11-17)28-23-26-20(29-30(22)23)18-12-7-13-32-18/h1-13H,14-15H2,(H2,24,25,26,27,28,29,31)
InChIKeyXDBHEXCFNGFAMS-UHFFFAOYSA-N
XLogP3.57
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-(7-Amino-2-(2-furyl)-(1,2,4)triazolo(2,3-a)-(1,3,5)triazin-5-yl-amino)ethyl)phenol
CID 176407
(1,2,4)Triazolo(1,5-a)triazin-7-amine, 2-(2-furanyl)-5-phenoxy-
CID 3071852
N-(2-furylmethyl)-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2211338
1-[5-Benzylsulfanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
CID 3586645
2-(Furan-2-Yl)-N~5~-[2-(4-Phenylpiperidin-1-Yl)ethyl][1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 86302363
2-(Furan-2-Yl)-N~5~-[2-(4-Methylpiperazin-1-Yl)ethyl][1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 121225598
4-[2-[[7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-2-tritiophenol
CID 53316647
(125I)ZM-241385
CID 73754992
N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
CID 665804
4-[5-[[7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]pentylcarbamoyl]benzenesulfonyl fluoride
CID 145951783
4-[4-[[7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]butylcarbamoyl]benzenesulfonyl fluoride
CID 145957791
6-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenoxy]-N-hydroxyhexanamide
CID 166629234

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide (CID 127035806) is N-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of N-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The InChIKey is XDBHEXCFNGFAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c31-19(14-16-8-3-1-4-9-16)25-22-27-21(24-15-17-10-5-2-6-11-17)28-23-26-20(29-30(22)23)18-12-7-13-32-18/h1-13H,14-15H2,(H2,24,25,26,27,28,29,31).
What are the key properties of N-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
N-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide has a molecular weight of 425.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide is sourced from PubChem (CID 127035806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).