(1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol

C14H24N2O5 — CID 57092020

IUPAC(1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol
SMILESCCCCCc1cncc([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)n1
InChIInChI=1S/C14H24N2O5/c1-2-3-4-5-9-6-15-7-10(16-9)12(19)14(21)13(20)11(18)8-17/h6-7,11-14,17-21H,2-5,8H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKeyFMZPZHVITBNYFW-ZOBORPQBSA-N
MW300.36 g/mol
LogP-0.68
Rot. Bonds9

About (1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol

(1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol (PubChem CID 57092020) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol
PubChem CID57092020
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol
SMILESCCCCCc1cncc([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)n1
InChIInChI=1S/C14H24N2O5/c1-2-3-4-5-9-6-15-7-10(16-9)12(19)14(21)13(20)11(18)8-17/h6-7,11-14,17-21H,2-5,8H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKeyFMZPZHVITBNYFW-ZOBORPQBSA-N
XLogP-0.68
TPSA126.93 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol with MolForge

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Related Compounds

1-(6-ethylpyrazin-2-yl)butane-1,2,3,4-tetrol
CID 102002761
2-nonan-5-yl-6-pentylpyrazine
CID 518702
(1S,2S,3S)-1-[6-[(1S,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol
CID 18712850
hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
2-butyl-6-ethylpyrazine
CID 91862985
(2R,3R,4S)-4-fluoro-4-[6-[(2R,3R)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3-triol
CID 15858403
hexane-1,2,3,4,5,6-hexol;octacosan-1-ol
CID 174529828
1-[5-(1,2,3,4-tetrahydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol
CID 11956719
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
6-butylpyrazin-2-amine
CID 89087055
(1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol
CID 67556506
2,8-difluoro-1-[6-(2-fluoro-3,4-dihydroxybutyl)pyrazin-2-yl]-8-[6-(2,3,4-trihydroxybutyl)pyrazin-2-yl]octane-1,3,4,5,6,7-hexol
CID 70170406

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol (CID 57092020) is (1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol is CCCCCc1cncc([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)n1.
What is the InChIKey of (1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol?
The InChIKey is FMZPZHVITBNYFW-ZOBORPQBSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-2-3-4-5-9-6-15-7-10(16-9)12(19)14(21)13(20)11(18)8-17/h6-7,11-14,17-21H,2-5,8H2,1H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of (1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol?
(1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol has a molecular weight of 300.36 g/mol, XLogP of -0.68, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 57092020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).