2-methyl-5-(pentoxymethyl)pyrazine

C11H18N2O — CID 70414950

IUPAC2-methyl-5-(pentoxymethyl)pyrazine
SMILESCCCCCOCc1cnc(C)cn1
InChIInChI=1S/C11H18N2O/c1-3-4-5-6-14-9-11-8-12-10(2)7-13-11/h7-8H,3-6,9H2,1-2H3
InChIKeySMRZLDPAYGUJFI-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.49
Rot. Bonds6

About 2-methyl-5-(pentoxymethyl)pyrazine

2-methyl-5-(pentoxymethyl)pyrazine (PubChem CID 70414950) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-5-(pentoxymethyl)pyrazine.

Molecular Properties

Compound Name2-methyl-5-(pentoxymethyl)pyrazine
PubChem CID70414950
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-5-(pentoxymethyl)pyrazine
SMILESCCCCCOCc1cnc(C)cn1
InChIInChI=1S/C11H18N2O/c1-3-4-5-6-14-9-11-8-12-10(2)7-13-11/h7-8H,3-6,9H2,1-2H3
InChIKeySMRZLDPAYGUJFI-UHFFFAOYSA-N
XLogP2.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-(3,5 or 6)-methylpyrazine
CID 113204
Pyrazine, 2-methoxymethyl-5-methyl-, 4-oxide
CID 3068148
Pyrazine, 2-(ethoxymethyl)-5-methyl-, 4-oxide
CID 3068149
Pyrazine, 2-ethoxymethyl-
CID 103404
Methyl pyrazine-2-carboximidate
CID 470894
Pyrazin-2-ylmethyl acetate
CID 12933345
(6-Methylpyrazin-2-yl)methyl acetate
CID 13123637
2,5-Bis(methoxymethyl)pyrazine
CID 14257640
2-(Prop-2-ynoxymethyl)pyrazine
CID 14531221
(5-Methylpyrazin-2-yl)methyl acetate
CID 14532641
(5-Fluoropyrazin-2-yl)methyl propanoate
CID 23462028
2-(1-Ethoxyethyl)pyrazine
CID 71406239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pentoxymethyl)pyrazine?
The IUPAC name of 2-methyl-5-(pentoxymethyl)pyrazine (CID 70414950) is 2-methyl-5-(pentoxymethyl)pyrazine.
What is the SMILES notation for 2-methyl-5-(pentoxymethyl)pyrazine?
The canonical SMILES for 2-methyl-5-(pentoxymethyl)pyrazine is CCCCCOCc1cnc(C)cn1.
What is the InChIKey of 2-methyl-5-(pentoxymethyl)pyrazine?
The InChIKey is SMRZLDPAYGUJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-5-6-14-9-11-8-12-10(2)7-13-11/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-methyl-5-(pentoxymethyl)pyrazine?
2-methyl-5-(pentoxymethyl)pyrazine has a molecular weight of 194.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pentoxymethyl)pyrazine is sourced from PubChem (CID 70414950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).