2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine

C9H15N3O — CID 96628322

IUPAC2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine
SMILESCOCc1cnc(C(C)(C)N)cn1
InChIInChI=1S/C9H15N3O/c1-9(2,10)8-5-11-7(4-12-8)6-13-3/h4-5H,6,10H2,1-3H3
InChIKeyBTURBXINYIHJJT-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.82
Rot. Bonds3

About 2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine

2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine (PubChem CID 96628322) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine
PubChem CID96628322
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine
SMILESCOCc1cnc(C(C)(C)N)cn1
InChIInChI=1S/C9H15N3O/c1-9(2,10)8-5-11-7(4-12-8)6-13-3/h4-5H,6,10H2,1-3H3
InChIKeyBTURBXINYIHJJT-UHFFFAOYSA-N
XLogP0.82
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine?
The IUPAC name of 2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine (CID 96628322) is 2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine?
The canonical SMILES for 2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine is COCc1cnc(C(C)(C)N)cn1.
What is the InChIKey of 2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine?
The InChIKey is BTURBXINYIHJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,10)8-5-11-7(4-12-8)6-13-3/h4-5H,6,10H2,1-3H3.
What are the key properties of 2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine?
2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine is sourced from PubChem (CID 96628322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).