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

C16H17N7O2 — CID 155259564

IUPAC4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol
SMILESNc1nc(NCCc2ccc(O)cc2)nc2nc(C3=CCCO3)nn12
InChIInChI=1S/C16H17N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h2-6,24H,1,7-9H2,(H3,17,18,19,20,21,22)
InChIKeyNFAAYDFVQROIHK-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.22
Rot. Bonds5

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

4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol (PubChem CID 155259564) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol
PubChem CID155259564
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol
SMILESNc1nc(NCCc2ccc(O)cc2)nc2nc(C3=CCCO3)nn12
InChIInChI=1S/C16H17N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h2-6,24H,1,7-9H2,(H3,17,18,19,20,21,22)
InChIKeyNFAAYDFVQROIHK-UHFFFAOYSA-N
XLogP1.22
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol with MolForge

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Related Compounds

4-[7-Amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol
CID 162665687
4-((5R,7R)-2-(methoxymethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
CID 136253201
1-[(3-Fluoro-4-hydroxyphenyl)methyl]-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-methylguanidine
CID 109731709
1-Ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]guanidine
CID 109732303
ethane;2-[(Z)-1-methoxyprop-1-enyl]-5-N-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153381422
ethane;2-[(Z)-1-methoxyprop-1-enyl]-5-N-[2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153381440
ethane;2-[(Z)-1-methoxyprop-1-enyl]-5-N-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153381507
4-[[[7-Amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol
CID 163770517
4-[2-[(7-Amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol
CID 176912717
4-[[7-(Aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol
CID 82568010
2-[(1S)-1-[[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propyl]phenol
CID 99702842
2-[(1R)-1-[[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propyl]phenol
CID 99702843

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol (CID 155259564) is 4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol is Nc1nc(NCCc2ccc(O)cc2)nc2nc(C3=CCCO3)nn12.
What is the InChIKey of 4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol?
The InChIKey is NFAAYDFVQROIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h2-6,24H,1,7-9H2,(H3,17,18,19,20,21,22).
What are the key properties of 4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol?
4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol has a molecular weight of 339.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol is sourced from PubChem (CID 155259564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).