1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol

C16H25N5O2 — CID 23276152

IUPAC1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol
SMILESCc1ccc(C)n1Nc1ccc(N(CC(C)O)CC(C)O)nn1
InChIInChI=1S/C16H25N5O2/c1-11-5-6-12(2)21(11)19-15-7-8-16(18-17-15)20(9-13(3)22)10-14(4)23/h5-8,13-14,22-23H,9-10H2,1-4H3,(H,17,19)
InChIKeyDPBXZNPLQFTEPM-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.34
Rot. Bonds7

About 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol

1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 23276152) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID23276152
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol
SMILESCc1ccc(C)n1Nc1ccc(N(CC(C)O)CC(C)O)nn1
InChIInChI=1S/C16H25N5O2/c1-11-5-6-12(2)21(11)19-15-7-8-16(18-17-15)20(9-13(3)22)10-14(4)23/h5-8,13-14,22-23H,9-10H2,1-4H3,(H,17,19)
InChIKeyDPBXZNPLQFTEPM-UHFFFAOYSA-N
XLogP1.34
TPSA86.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-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 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol (CID 23276152) is 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol is Cc1ccc(C)n1Nc1ccc(N(CC(C)O)CC(C)O)nn1.
What is the InChIKey of 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is DPBXZNPLQFTEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11-5-6-12(2)21(11)19-15-7-8-16(18-17-15)20(9-13(3)22)10-14(4)23/h5-8,13-14,22-23H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol?
1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 319.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 23276152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).