(1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine

C15H22N6O — CID 95600314

IUPAC(1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
SMILESCc1nnc([C@H](C)N(C)C[C@@H]2CCCN2c2cccnn2)o1
InChIInChI=1S/C15H22N6O/c1-11(15-19-17-12(2)22-15)20(3)10-13-6-5-9-21(13)14-7-4-8-16-18-14/h4,7-8,11,13H,5-6,9-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyLNWHBGDQHIRKBB-AAEUAGOBSA-N
MW302.38 g/mol
LogP1.83
Rot. Bonds5

About (1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine

(1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine (PubChem CID 95600314) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
PubChem CID95600314
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
SMILESCc1nnc([C@H](C)N(C)C[C@@H]2CCCN2c2cccnn2)o1
InChIInChI=1S/C15H22N6O/c1-11(15-19-17-12(2)22-15)20(3)10-13-6-5-9-21(13)14-7-4-8-16-18-14/h4,7-8,11,13H,5-6,9-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyLNWHBGDQHIRKBB-AAEUAGOBSA-N
XLogP1.83
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of (1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine (CID 95600314) is (1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for (1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine is Cc1nnc([C@H](C)N(C)C[C@@H]2CCCN2c2cccnn2)o1.
What is the InChIKey of (1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is LNWHBGDQHIRKBB-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11(15-19-17-12(2)22-15)20(3)10-13-6-5-9-21(13)14-7-4-8-16-18-14/h4,7-8,11,13H,5-6,9-10H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine?
(1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 302.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 95600314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).