2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol

C17H21N7O — CID 10315138

IUPAC2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H21N7O/c1-2-23(11-12-25)14-8-6-13(7-9-14)20-17-21-16(18)24(22-17)15-5-3-4-10-19-15/h3-10,25H,2,11-12H2,1H3,(H3,18,20,21,22)
InChIKeyGQOGZUDFHKVIMU-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.81
Rot. Bonds7

About 2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol

2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol (PubChem CID 10315138) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol
PubChem CID10315138
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H21N7O/c1-2-23(11-12-25)14-8-6-13(7-9-14)20-17-21-16(18)24(22-17)15-5-3-4-10-19-15/h3-10,25H,2,11-12H2,1H3,(H3,18,20,21,22)
InChIKeyGQOGZUDFHKVIMU-UHFFFAOYSA-N
XLogP1.81
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol?
The IUPAC name of 2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol (CID 10315138) is 2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol.
What is the SMILES notation for 2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol?
The canonical SMILES for 2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol is CCN(CCO)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol?
The InChIKey is GQOGZUDFHKVIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-2-23(11-12-25)14-8-6-13(7-9-14)20-17-21-16(18)24(22-17)15-5-3-4-10-19-15/h3-10,25H,2,11-12H2,1H3,(H3,18,20,21,22).
What are the key properties of 2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol?
2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol has a molecular weight of 339.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol is sourced from PubChem (CID 10315138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).