N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine

C9H15N3O — CID 66569579

IUPACN-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine
SMILESCOc1nccnc1CNC(C)C
InChIInChI=1S/C9H15N3O/c1-7(2)12-6-8-9(13-3)11-5-4-10-8/h4-5,7,12H,6H2,1-3H3
InChIKeyGWPMTGPFGKYQSU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.98
Rot. Bonds4

About N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine

N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine (PubChem CID 66569579) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine
PubChem CID66569579
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine
SMILESCOc1nccnc1CNC(C)C
InChIInChI=1S/C9H15N3O/c1-7(2)12-6-8-9(13-3)11-5-4-10-8/h4-5,7,12H,6H2,1-3H3
InChIKeyGWPMTGPFGKYQSU-UHFFFAOYSA-N
XLogP0.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine (CID 66569579) is N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine is COc1nccnc1CNC(C)C.
What is the InChIKey of N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine?
The InChIKey is GWPMTGPFGKYQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)12-6-8-9(13-3)11-5-4-10-8/h4-5,7,12H,6H2,1-3H3.
What are the key properties of N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine?
N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66569579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).