N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

C18H20N6O — CID 95600122

IUPACN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
SMILESc1ccc(-c2nnc(CNC[C@H]3CCCN3c3cccnn3)o2)cc1
InChIInChI=1S/C18H20N6O/c1-2-6-14(7-3-1)18-23-22-17(25-18)13-19-12-15-8-5-11-24(15)16-9-4-10-20-21-16/h1-4,6-7,9-10,15,19H,5,8,11-13H2/t15-/m1/s1
InChIKeyWHAASJRUUNHPGD-OAHLLOKOSA-N
MW336.40 g/mol
LogP2.29
Rot. Bonds6

About N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (PubChem CID 95600122) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
PubChem CID95600122
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
SMILESc1ccc(-c2nnc(CNC[C@H]3CCCN3c3cccnn3)o2)cc1
InChIInChI=1S/C18H20N6O/c1-2-6-14(7-3-1)18-23-22-17(25-18)13-19-12-15-8-5-11-24(15)16-9-4-10-20-21-16/h1-4,6-7,9-10,15,19H,5,8,11-13H2/t15-/m1/s1
InChIKeyWHAASJRUUNHPGD-OAHLLOKOSA-N
XLogP2.29
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 95610877
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95764526
N-(2H-chromen-3-ylmethyl)-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95979097
N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95329826
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95979099
N-[(4-methylsulfonylphenyl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95610651
2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile
CID 95979126
N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95766325
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (CID 95600122) is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is c1ccc(-c2nnc(CNC[C@H]3CCCN3c3cccnn3)o2)cc1.
What is the InChIKey of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The InChIKey is WHAASJRUUNHPGD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-6-14(7-3-1)18-23-22-17(25-18)13-19-12-15-8-5-11-24(15)16-9-4-10-20-21-16/h1-4,6-7,9-10,15,19H,5,8,11-13H2/t15-/m1/s1.
What are the key properties of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine has a molecular weight of 336.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 95600122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).