5-(3-methoxypropoxymethyl)pyrazin-2-amine

C9H15N3O2 — CID 103057859

IUPAC5-(3-methoxypropoxymethyl)pyrazin-2-amine
SMILESCOCCCOCc1cnc(N)cn1
InChIInChI=1S/C9H15N3O2/c1-13-3-2-4-14-7-8-5-12-9(10)6-11-8/h5-6H,2-4,7H2,1H3,(H2,10,12)
InChIKeyJSGVNNFZDOOKTN-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.61
Rot. Bonds6

About 5-(3-methoxypropoxymethyl)pyrazin-2-amine

5-(3-methoxypropoxymethyl)pyrazin-2-amine (PubChem CID 103057859) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(3-methoxypropoxymethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-methoxypropoxymethyl)pyrazin-2-amine
PubChem CID103057859
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(3-methoxypropoxymethyl)pyrazin-2-amine
SMILESCOCCCOCc1cnc(N)cn1
InChIInChI=1S/C9H15N3O2/c1-13-3-2-4-14-7-8-5-12-9(10)6-11-8/h5-6H,2-4,7H2,1H3,(H2,10,12)
InChIKeyJSGVNNFZDOOKTN-UHFFFAOYSA-N
XLogP0.61
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropoxymethyl)pyrazin-2-amine?
The IUPAC name of 5-(3-methoxypropoxymethyl)pyrazin-2-amine (CID 103057859) is 5-(3-methoxypropoxymethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(3-methoxypropoxymethyl)pyrazin-2-amine?
The canonical SMILES for 5-(3-methoxypropoxymethyl)pyrazin-2-amine is COCCCOCc1cnc(N)cn1.
What is the InChIKey of 5-(3-methoxypropoxymethyl)pyrazin-2-amine?
The InChIKey is JSGVNNFZDOOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-13-3-2-4-14-7-8-5-12-9(10)6-11-8/h5-6H,2-4,7H2,1H3,(H2,10,12).
What are the key properties of 5-(3-methoxypropoxymethyl)pyrazin-2-amine?
5-(3-methoxypropoxymethyl)pyrazin-2-amine has a molecular weight of 197.24 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropoxymethyl)pyrazin-2-amine is sourced from PubChem (CID 103057859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).