(6-pentoxypyrazin-2-yl)methanol

C10H16N2O2 — CID 66465943

IUPAC(6-pentoxypyrazin-2-yl)methanol
SMILESCCCCCOc1cncc(CO)n1
InChIInChI=1S/C10H16N2O2/c1-2-3-4-5-14-10-7-11-6-9(8-13)12-10/h6-7,13H,2-5,8H2,1H3
InChIKeyBLZFEYWHAGDEHF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.54
Rot. Bonds6

About (6-pentoxypyrazin-2-yl)methanol

(6-pentoxypyrazin-2-yl)methanol (PubChem CID 66465943) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (6-pentoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(6-pentoxypyrazin-2-yl)methanol
PubChem CID66465943
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(6-pentoxypyrazin-2-yl)methanol
SMILESCCCCCOc1cncc(CO)n1
InChIInChI=1S/C10H16N2O2/c1-2-3-4-5-14-10-7-11-6-9(8-13)12-10/h6-7,13H,2-5,8H2,1H3
InChIKeyBLZFEYWHAGDEHF-UHFFFAOYSA-N
XLogP1.54
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of (6-pentoxypyrazin-2-yl)methanol?
The IUPAC name of (6-pentoxypyrazin-2-yl)methanol (CID 66465943) is (6-pentoxypyrazin-2-yl)methanol.
What is the SMILES notation for (6-pentoxypyrazin-2-yl)methanol?
The canonical SMILES for (6-pentoxypyrazin-2-yl)methanol is CCCCCOc1cncc(CO)n1.
What is the InChIKey of (6-pentoxypyrazin-2-yl)methanol?
The InChIKey is BLZFEYWHAGDEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-4-5-14-10-7-11-6-9(8-13)12-10/h6-7,13H,2-5,8H2,1H3.
What are the key properties of (6-pentoxypyrazin-2-yl)methanol?
(6-pentoxypyrazin-2-yl)methanol has a molecular weight of 196.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pentoxypyrazin-2-yl)methanol is sourced from PubChem (CID 66465943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).