N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine

C12H20N4O — CID 71642923

IUPACN-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCOc1nccnc1CN(C)CC1CCNC1
InChIInChI=1S/C12H20N4O/c1-16(8-10-3-4-13-7-10)9-11-12(17-2)15-6-5-14-11/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeyVTKTWWMJXWAEQV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.53
Rot. Bonds5

About N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine

N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine (PubChem CID 71642923) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
PubChem CID71642923
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCOc1nccnc1CN(C)CC1CCNC1
InChIInChI=1S/C12H20N4O/c1-16(8-10-3-4-13-7-10)9-11-12(17-2)15-6-5-14-11/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeyVTKTWWMJXWAEQV-UHFFFAOYSA-N
XLogP0.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642921
N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164670
N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 97164667
2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
CID 71642986
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-piperidin-4-ylmethanamine
CID 112651005
N,3-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642284
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
3-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 153376724
N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 115208923

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine (CID 71642923) is N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine is COc1nccnc1CN(C)CC1CCNC1.
What is the InChIKey of N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
The InChIKey is VTKTWWMJXWAEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16(8-10-3-4-13-7-10)9-11-12(17-2)15-6-5-14-11/h5-6,10,13H,3-4,7-9H2,1-2H3.
What are the key properties of N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine has a molecular weight of 236.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 71642923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).