1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol

C11H19ClN4O — CID 559492

IUPAC1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1ccc(Cl)nn1
InChIInChI=1S/C11H19ClN4O/c1-3-16(4-2)8-9(17)7-13-11-6-5-10(12)14-15-11/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,13,15)
InChIKeyCYOBZTHLMKNMIW-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.24
Rot. Bonds7

About 1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol

1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol (PubChem CID 559492) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol
PubChem CID559492
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1ccc(Cl)nn1
InChIInChI=1S/C11H19ClN4O/c1-3-16(4-2)8-9(17)7-13-11-6-5-10(12)14-15-11/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,13,15)
InChIKeyCYOBZTHLMKNMIW-UHFFFAOYSA-N
XLogP1.24
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol (CID 559492) is 1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)CNc1ccc(Cl)nn1.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol?
The InChIKey is CYOBZTHLMKNMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-3-16(4-2)8-9(17)7-13-11-6-5-10(12)14-15-11/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,13,15).
What are the key properties of 1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol?
1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol has a molecular weight of 258.75 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridazin-3-yl)amino]-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 559492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).