4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide

C19H20N8O3 — CID 166634264

IUPAC4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide
SMILESCCN(CCc1ccc(C(=O)NO)cc1)c1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C19H20N8O3/c1-2-26(10-9-12-5-7-13(8-6-12)16(28)25-29)18-22-17(20)27-19(23-18)21-15(24-27)14-4-3-11-30-14/h3-8,11,29H,2,9-10H2,1H3,(H,25,28)(H2,20,21,22,23,24)
InChIKeyUNBQOQNISDAVST-UHFFFAOYSA-N
MW408.42 g/mol
LogP1.55
Rot. Bonds7

About 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide

4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide (PubChem CID 166634264) has the molecular formula C19H20N8O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide
PubChem CID166634264
Molecular FormulaC19H20N8O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide
SMILESCCN(CCc1ccc(C(=O)NO)cc1)c1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C19H20N8O3/c1-2-26(10-9-12-5-7-13(8-6-12)16(28)25-29)18-22-17(20)27-19(23-18)21-15(24-27)14-4-3-11-30-14/h3-8,11,29H,2,9-10H2,1H3,(H,25,28)(H2,20,21,22,23,24)
InChIKeyUNBQOQNISDAVST-UHFFFAOYSA-N
XLogP1.55
TPSA147.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 153381356
2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 15729947
4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol
CID 163927085
[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate
CID 15730022
3-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]propanal
CID 159141943
4-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-methylamino]ethyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]-3-fluorobenzamide
CID 146467572
5-N-[2-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153381494
5-N-[2-[4-(2-ethoxyethylamino)phenyl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153381515
4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-N'-[amino(propan-2-yl)amino]benzenecarboximidamide
CID 153381381
(2S)-2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 174296040
2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 15730118
methyl 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-4-oxobutanoate
CID 51051035

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide (CID 166634264) is 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide is CCN(CCc1ccc(C(=O)NO)cc1)c1nc(N)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide?
The InChIKey is UNBQOQNISDAVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O3/c1-2-26(10-9-12-5-7-13(8-6-12)16(28)25-29)18-22-17(20)27-19(23-18)21-15(24-27)14-4-3-11-30-14/h3-8,11,29H,2,9-10H2,1H3,(H,25,28)(H2,20,21,22,23,24).
What are the key properties of 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide?
4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide has a molecular weight of 408.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-ethylamino]ethyl]-N-hydroxybenzamide is sourced from PubChem (CID 166634264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).