1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine

C10H17N3O — CID 62845537

IUPAC1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1cnc(C)cn1
InChIInChI=1S/C10H17N3O/c1-8-4-13-10(5-11-8)6-12-9(2)7-14-3/h4-5,9,12H,6-7H2,1-3H3
InChIKeyVXHWCTJTDWUQFI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.91
Rot. Bonds5

About 1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine

1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine (PubChem CID 62845537) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine
PubChem CID62845537
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1cnc(C)cn1
InChIInChI=1S/C10H17N3O/c1-8-4-13-10(5-11-8)6-12-9(2)7-14-3/h4-5,9,12H,6-7H2,1-3H3
InChIKeyVXHWCTJTDWUQFI-UHFFFAOYSA-N
XLogP0.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine (CID 62845537) is 1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine is COCC(C)NCc1cnc(C)cn1.
What is the InChIKey of 1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine?
The InChIKey is VXHWCTJTDWUQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-4-13-10(5-11-8)6-12-9(2)7-14-3/h4-5,9,12H,6-7H2,1-3H3.
What are the key properties of 1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine?
1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine has a molecular weight of 195.27 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 62845537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).