2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol

C17H20N6O — CID 59612459

IUPAC2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCN1CCN(c2ccc(Nc3nc4c(O)cccn4n3)cc2)CC1
InChIInChI=1S/C17H20N6O/c1-21-9-11-22(12-10-21)14-6-4-13(5-7-14)18-17-19-16-15(24)3-2-8-23(16)20-17/h2-8,24H,9-12H2,1H3,(H,18,20)
InChIKeyGMJMTYYYXRZTHU-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.93
Rot. Bonds3

About 2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol

2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 59612459) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID59612459
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCN1CCN(c2ccc(Nc3nc4c(O)cccn4n3)cc2)CC1
InChIInChI=1S/C17H20N6O/c1-21-9-11-22(12-10-21)14-6-4-13(5-7-14)18-17-19-16-15(24)3-2-8-23(16)20-17/h2-8,24H,9-12H2,1H3,(H,18,20)
InChIKeyGMJMTYYYXRZTHU-UHFFFAOYSA-N
XLogP1.93
TPSA68.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 59612459) is 2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol is CN1CCN(c2ccc(Nc3nc4c(O)cccn4n3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is GMJMTYYYXRZTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-21-9-11-22(12-10-21)14-6-4-13(5-7-14)18-17-19-16-15(24)3-2-8-23(16)20-17/h2-8,24H,9-12H2,1H3,(H,18,20).
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 324.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 59612459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).