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

C15H23N5O2 — CID 23275924

IUPAC1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol
SMILESCc1ccc(C)n1Nc1ccc(N(CCO)CC(C)O)nn1
InChIInChI=1S/C15H23N5O2/c1-11-4-5-12(2)20(11)18-14-6-7-15(17-16-14)19(8-9-21)10-13(3)22/h4-7,13,21-22H,8-10H2,1-3H3,(H,16,18)
InChIKeyHNKPSOITZJPIOW-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.95
Rot. Bonds7

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

1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 23275924) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol
PubChem CID23275924
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol
SMILESCc1ccc(C)n1Nc1ccc(N(CCO)CC(C)O)nn1
InChIInChI=1S/C15H23N5O2/c1-11-4-5-12(2)20(11)18-14-6-7-15(17-16-14)19(8-9-21)10-13(3)22/h4-7,13,21-22H,8-10H2,1-3H3,(H,16,18)
InChIKeyHNKPSOITZJPIOW-UHFFFAOYSA-N
XLogP0.95
TPSA86.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol (CID 23275924) is 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol is Cc1ccc(C)n1Nc1ccc(N(CCO)CC(C)O)nn1.
What is the InChIKey of 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is HNKPSOITZJPIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11-4-5-12(2)20(11)18-14-6-7-15(17-16-14)19(8-9-21)10-13(3)22/h4-7,13,21-22H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol?
1-[[6-[(2,5-dimethylpyrrol-1-yl)amino]pyridazin-3-yl]-(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 305.38 g/mol, XLogP of 0.95, 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-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 23275924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).