4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol

C18H18N6O2 — CID 163927085

IUPAC4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol
SMILESNc1nc(CCCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H18N6O2/c19-17-20-15(6-2-1-4-12-7-9-13(25)10-8-12)21-18-22-16(23-24(17)18)14-5-3-11-26-14/h3,5,7-11,25H,1-2,4,6H2,(H2,19,20,21,22,23)
InChIKeyRFKPNVYJNICBKI-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.63
Rot. Bonds6

About 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol

4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol (PubChem CID 163927085) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol.

Molecular Properties

Compound Name4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol
PubChem CID163927085
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol
SMILESNc1nc(CCCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H18N6O2/c19-17-20-15(6-2-1-4-12-7-9-13(25)10-8-12)21-18-22-16(23-24(17)18)14-5-3-11-26-14/h3,5,7-11,25H,1-2,4,6H2,(H2,19,20,21,22,23)
InChIKeyRFKPNVYJNICBKI-UHFFFAOYSA-N
XLogP2.63
TPSA115.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol 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

3-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]propanal
CID 159141943
4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]ethyl]phenol
CID 21220573
2-(furan-2-yl)-5-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 15730118
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312245
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-[[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-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 15729947
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
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-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 18960655
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol?
The IUPAC name of 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) is 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol.
What is the SMILES notation for 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol?
The canonical SMILES for 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol is Nc1nc(CCCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol?
The InChIKey is RFKPNVYJNICBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c19-17-20-15(6-2-1-4-12-7-9-13(25)10-8-12)21-18-22-16(23-24(17)18)14-5-3-11-26-14/h3,5,7-11,25H,1-2,4,6H2,(H2,19,20,21,22,23).
What are the key properties of 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol?
4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol has a molecular weight of 350.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]butyl]phenol is sourced from PubChem (CID 163927085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).