N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine

C18H20N6 — CID 95599819

IUPACN-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine
SMILESCN(C[C@@H]1CCCN1c1cccnn1)c1cnc2ccccc2n1
InChIInChI=1S/C18H20N6/c1-23(18-12-19-15-7-2-3-8-16(15)21-18)13-14-6-5-11-24(14)17-9-4-10-20-22-17/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1
InChIKeyKUYTXBOIRNITMG-AWEZNQCLSA-N
MW320.40 g/mol
LogP2.53
Rot. Bonds4

About N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine

N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine (PubChem CID 95599819) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine
PubChem CID95599819
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine
SMILESCN(C[C@@H]1CCCN1c1cccnn1)c1cnc2ccccc2n1
InChIInChI=1S/C18H20N6/c1-23(18-12-19-15-7-2-3-8-16(15)21-18)13-14-6-5-11-24(14)17-9-4-10-20-22-17/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1
InChIKeyKUYTXBOIRNITMG-AWEZNQCLSA-N
XLogP2.53
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine?
The IUPAC name of N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine (CID 95599819) is N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine is CN(C[C@@H]1CCCN1c1cccnn1)c1cnc2ccccc2n1.
What is the InChIKey of N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine?
The InChIKey is KUYTXBOIRNITMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N6/c1-23(18-12-19-15-7-2-3-8-16(15)21-18)13-14-6-5-11-24(14)17-9-4-10-20-22-17/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine?
N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine has a molecular weight of 320.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 95599819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).