6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine

C16H19ClN4O — CID 136588513

IUPAC6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine
SMILESNc1ccc(CN2CCC[C@H]2COc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H19ClN4O/c17-12-3-6-15(7-4-12)22-11-14-2-1-9-21(14)10-13-5-8-16(18)20-19-13/h3-8,14H,1-2,9-11H2,(H2,18,20)/t14-/m0/s1
InChIKeyQIKWRFJMDWBNLQ-AWEZNQCLSA-N
MW318.81 g/mol
LogP2.76
Rot. Bonds5

About 6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine

6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine (PubChem CID 136588513) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine
PubChem CID136588513
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine
SMILESNc1ccc(CN2CCC[C@H]2COc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H19ClN4O/c17-12-3-6-15(7-4-12)22-11-14-2-1-9-21(14)10-13-5-8-16(18)20-19-13/h3-8,14H,1-2,9-11H2,(H2,18,20)/t14-/m0/s1
InChIKeyQIKWRFJMDWBNLQ-AWEZNQCLSA-N
XLogP2.76
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine (CID 136588513) is 6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine is Nc1ccc(CN2CCC[C@H]2COc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine?
The InChIKey is QIKWRFJMDWBNLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-12-3-6-15(7-4-12)22-11-14-2-1-9-21(14)10-13-5-8-16(18)20-19-13/h3-8,14H,1-2,9-11H2,(H2,18,20)/t14-/m0/s1.
What are the key properties of 6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine?
6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine has a molecular weight of 318.81 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 136588513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).