(2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol

C10H17N3O5 — CID 101005429

IUPAC(2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CNc1cnccn1
InChIInChI=1S/C10H17N3O5/c14-5-7(16)10(18)9(17)6(15)3-13-8-4-11-1-2-12-8/h1-2,4,6-7,9-10,14-18H,3,5H2,(H,12,13)/t6-,7+,9+,10-/m0/s1
InChIKeyROCRDWMMBUOHQE-WDQPUEAGSA-N
MW259.26 g/mol
LogP-2.68
Rot. Bonds7

About (2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol

(2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol (PubChem CID 101005429) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol
PubChem CID101005429
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name(2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CNc1cnccn1
InChIInChI=1S/C10H17N3O5/c14-5-7(16)10(18)9(17)6(15)3-13-8-4-11-1-2-12-8/h1-2,4,6-7,9-10,14-18H,3,5H2,(H,12,13)/t6-,7+,9+,10-/m0/s1
InChIKeyROCRDWMMBUOHQE-WDQPUEAGSA-N
XLogP-2.68
TPSA138.96 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol (CID 101005429) is (2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol is OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CNc1cnccn1.
What is the InChIKey of (2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol?
The InChIKey is ROCRDWMMBUOHQE-WDQPUEAGSA-N. The full InChI is InChI=1S/C10H17N3O5/c14-5-7(16)10(18)9(17)6(15)3-13-8-4-11-1-2-12-8/h1-2,4,6-7,9-10,14-18H,3,5H2,(H,12,13)/t6-,7+,9+,10-/m0/s1.
What are the key properties of (2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol?
(2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol has a molecular weight of 259.26 g/mol, XLogP of -2.68, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 101005429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).