5-(propoxymethyl)pyrazin-2-amine

C8H13N3O — CID 103058721

IUPAC5-(propoxymethyl)pyrazin-2-amine
SMILESCCCOCc1cnc(N)cn1
InChIInChI=1S/C8H13N3O/c1-2-3-12-6-7-4-11-8(9)5-10-7/h4-5H,2-3,6H2,1H3,(H2,9,11)
InChIKeyHEFXJBLDRBDEAE-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.99
Rot. Bonds4

About 5-(propoxymethyl)pyrazin-2-amine

5-(propoxymethyl)pyrazin-2-amine (PubChem CID 103058721) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(propoxymethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(propoxymethyl)pyrazin-2-amine
PubChem CID103058721
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-(propoxymethyl)pyrazin-2-amine
SMILESCCCOCc1cnc(N)cn1
InChIInChI=1S/C8H13N3O/c1-2-3-12-6-7-4-11-8(9)5-10-7/h4-5H,2-3,6H2,1H3,(H2,9,11)
InChIKeyHEFXJBLDRBDEAE-UHFFFAOYSA-N
XLogP0.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-methoxyethoxy)ethoxymethyl]pyrazin-2-amine
CID 103059455
5-(3-methoxypropoxymethyl)pyrazin-2-amine
CID 103057859
5-(4-methylpentoxymethyl)pyrazin-2-amine
CID 103058540
5-(1-ethoxypropan-2-yloxymethyl)pyrazin-2-amine
CID 103490235
5-(3-phenylpropoxymethyl)pyrazin-2-amine
CID 103058940
5-(cyclopropylmethoxymethyl)pyrazin-2-amine
CID 103058587
[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine
CID 63108990
5-(octan-2-yloxymethyl)pyrazin-2-amine
CID 103058562
5-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyrazin-2-amine
CID 103055836
5-[(2-ethylphenoxy)methyl]pyrazin-2-amine
CID 103058694
5-(butoxymethyl)pyridin-2-amine
CID 62195711
5-[[1-iodobutoxy(oxo)silyl]oxymethyl]pyrazin-2-amine
CID 89473210

Frequently Asked Questions

What is the IUPAC name of 5-(propoxymethyl)pyrazin-2-amine?
The IUPAC name of 5-(propoxymethyl)pyrazin-2-amine (CID 103058721) is 5-(propoxymethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(propoxymethyl)pyrazin-2-amine?
The canonical SMILES for 5-(propoxymethyl)pyrazin-2-amine is CCCOCc1cnc(N)cn1.
What is the InChIKey of 5-(propoxymethyl)pyrazin-2-amine?
The InChIKey is HEFXJBLDRBDEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-12-6-7-4-11-8(9)5-10-7/h4-5H,2-3,6H2,1H3,(H2,9,11).
What are the key properties of 5-(propoxymethyl)pyrazin-2-amine?
5-(propoxymethyl)pyrazin-2-amine has a molecular weight of 167.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propoxymethyl)pyrazin-2-amine is sourced from PubChem (CID 103058721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).