N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine

C12H20ClN3O — CID 115505459

IUPACN-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1ccc(Cl)nn1)C(C)C
InChIInChI=1S/C12H20ClN3O/c1-9(2)16(10(3)4)7-8-17-12-6-5-11(13)14-15-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyDPYZNXMQPIWCSA-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine

N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 115505459) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
PubChem CID115505459
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC NameN-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1ccc(Cl)nn1)C(C)C
InChIInChI=1S/C12H20ClN3O/c1-9(2)16(10(3)4)7-8-17-12-6-5-11(13)14-15-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyDPYZNXMQPIWCSA-UHFFFAOYSA-N
XLogP2.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine 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 N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine (CID 115505459) is N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOc1ccc(Cl)nn1)C(C)C.
What is the InChIKey of N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is DPYZNXMQPIWCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-9(2)16(10(3)4)7-8-17-12-6-5-11(13)14-15-12/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115505459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).