(2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol

C10H15N3O4 — CID 101005436

IUPAC(2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/c1cnccn1
InChIInChI=1S/C10H15N3O4/c1-6(14)9(16)10(17)7(15)4-13-8-5-11-2-3-12-8/h2-7,9-10,14-17H,1H3/b13-4+/t6-,7-,9-,10-/m0/s1
InChIKeyFALSISBWBIPZLT-MUJLTKDCSA-N
MW241.25 g/mol
LogP-1.36
Rot. Bonds5

About (2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol

(2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol (PubChem CID 101005436) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol
PubChem CID101005436
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/c1cnccn1
InChIInChI=1S/C10H15N3O4/c1-6(14)9(16)10(17)7(15)4-13-8-5-11-2-3-12-8/h2-7,9-10,14-17H,1H3/b13-4+/t6-,7-,9-,10-/m0/s1
InChIKeyFALSISBWBIPZLT-MUJLTKDCSA-N
XLogP-1.36
TPSA119.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

di(pyrazin-2-yl)diazene
CID 101239422
N-(1-hydroxyethyl)pyrazine-2-carbothioamide
CID 57215395
(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
CID 92527383
N-hydroxy-N'-pyrazin-2-ylpropanimidamide
CID 137181777
1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine
CID 23992700
(1R)-1-(4-pyrazin-2-yloxyphenyl)ethanol
CID 7101331
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy(1,2,3,4,5,6-13C6)hexanal
CID 131953208
N'-propan-2-ylpyrazine-2-carboximidamide
CID 63181346
2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol
CID 130506995
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
1-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)ethanol
CID 62769436

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol (CID 101005436) is (2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol is C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/c1cnccn1.
What is the InChIKey of (2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol?
The InChIKey is FALSISBWBIPZLT-MUJLTKDCSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(14)9(16)10(17)7(15)4-13-8-5-11-2-3-12-8/h2-7,9-10,14-17H,1H3/b13-4+/t6-,7-,9-,10-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol?
(2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol has a molecular weight of 241.25 g/mol, XLogP of -1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-1-pyrazin-2-yliminohexane-2,3,4,5-tetrol is sourced from PubChem (CID 101005436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).