4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one

C24H29N9O2 — CID 118726010

IUPAC4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one
SMILESCCCN(CCCNc1nc(N)n2nc(-c3ccco3)nc2n1)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C24H29N9O2/c1-2-11-32(13-9-16-6-3-7-18-17(16)15-20(34)27-18)12-5-10-26-23-29-22(25)33-24(30-23)28-21(31-33)19-8-4-14-35-19/h3-4,6-8,14H,2,5,9-13,15H2,1H3,(H,27,34)(H3,25,26,28,29,30,31)
InChIKeyLPQJVVVCQKYAIY-UHFFFAOYSA-N
MW475.56 g/mol
LogP2.61
Rot. Bonds11

About 4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one

4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one (PubChem CID 118726010) has the molecular formula C24H29N9O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is 4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one
PubChem CID118726010
Molecular FormulaC24H29N9O2
Molecular Weight475.56 g/mol
Exact Mass475.24
IUPAC Name4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one
SMILESCCCN(CCCNc1nc(N)n2nc(-c3ccco3)nc2n1)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C24H29N9O2/c1-2-11-32(13-9-16-6-3-7-18-17(16)15-20(34)27-18)12-5-10-26-23-29-22(25)33-24(30-23)28-21(31-33)19-8-4-14-35-19/h3-4,6-8,14H,2,5,9-13,15H2,1H3,(H,27,34)(H3,25,26,28,29,30,31)
InChIKeyLPQJVVVCQKYAIY-UHFFFAOYSA-N
XLogP2.61
TPSA139.50 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 118726016
2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 15729947
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-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 51051139
4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid
CID 11449569
2-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]-1-(4-methyloxan-4-yl)ethanone
CID 160937916
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]phenyl] 2,2-dimethylpropanoate
CID 15730022
2-(furan-2-yl)-5-N-[(3E,5Z)-3-methyl-6-(methylideneamino)hexa-3,5-dienyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 166752469
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
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
N-[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-pyrrolidin-1-ylacetamide
CID 147098302

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one (CID 118726010) is 4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one is CCCN(CCCNc1nc(N)n2nc(-c3ccco3)nc2n1)CCc1cccc2c1CC(=O)N2.
What is the InChIKey of 4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is LPQJVVVCQKYAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O2/c1-2-11-32(13-9-16-6-3-7-18-17(16)15-20(34)27-18)12-5-10-26-23-29-22(25)33-24(30-23)28-21(31-33)19-8-4-14-35-19/h3-4,6-8,14H,2,5,9-13,15H2,1H3,(H,27,34)(H3,25,26,28,29,30,31).
What are the key properties of 4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one?
4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 475.56 g/mol, XLogP of 2.61, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 118726010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).