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

C17H15N7O2 — CID 127035803

IUPACN-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
SMILESCNc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C17H15N7O2/c1-18-15-21-16(19-13(25)10-11-6-3-2-4-7-11)24-17(22-15)20-14(23-24)12-8-5-9-26-12/h2-9H,10H2,1H3,(H2,18,19,20,21,22,23,25)
InChIKeyUIJTUNGBZZGOBB-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.00
Rot. Bonds5

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

N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide (PubChem CID 127035803) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
PubChem CID127035803
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC NameN-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
SMILESCNc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C17H15N7O2/c1-18-15-21-16(19-13(25)10-11-6-3-2-4-7-11)24-17(22-15)20-14(23-24)12-8-5-9-26-12/h2-9H,10H2,1H3,(H2,18,19,20,21,22,23,25)
InChIKeyUIJTUNGBZZGOBB-UHFFFAOYSA-N
XLogP2.00
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-phenylacetamide
CID 11014188
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
Triazine-4-carboxamide, 7
CID 44520932
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide (CID 127035803) is N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide is CNc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The InChIKey is UIJTUNGBZZGOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-18-15-21-16(19-13(25)10-11-6-3-2-4-7-11)24-17(22-15)20-14(23-24)12-8-5-9-26-12/h2-9H,10H2,1H3,(H2,18,19,20,21,22,23,25).
What are the key properties of N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide has a molecular weight of 349.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide is sourced from PubChem (CID 127035803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).