1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol

C8H12ClN3O3 — CID 171872100

IUPAC1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol
SMILESNc1ncc(C(O)C(O)CCO)nc1Cl
InChIInChI=1S/C8H12ClN3O3/c9-7-8(10)11-3-4(12-7)6(15)5(14)1-2-13/h3,5-6,13-15H,1-2H2,(H2,10,11)
InChIKeyDYABECUUFWIPBQ-UHFFFAOYSA-N
MW233.65 g/mol
LogP-0.51
Rot. Bonds4

About 1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol

1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol (PubChem CID 171872100) has the molecular formula C8H12ClN3O3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol
PubChem CID171872100
Molecular FormulaC8H12ClN3O3
Molecular Weight233.65 g/mol
Exact Mass233.06
IUPAC Name1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol
SMILESNc1ncc(C(O)C(O)CCO)nc1Cl
InChIInChI=1S/C8H12ClN3O3/c9-7-8(10)11-3-4(12-7)6(15)5(14)1-2-13/h3,5-6,13-15H,1-2H2,(H2,10,11)
InChIKeyDYABECUUFWIPBQ-UHFFFAOYSA-N
XLogP-0.51
TPSA112.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol
CID 171871936
1-(5-amino-6-chloro-2-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873736
1-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]butane-1,2,4-triol
CID 171873020
1-(2-amino-4-chloropyrimidin-5-yl)-4-sulfanylbutane-1,2-diol
CID 171873895
1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893444
4-amino-1-(5-amino-6-chloro-2-pyridinyl)butane-1,2-diol
CID 171880901
1-(6-aminopyridazin-3-yl)butane-1,2,4-triol
CID 171871817
1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817506
methyl 3-amino-6-(4-bromo-1,2-dihydroxybutyl)pyrazine-2-carboxylate
CID 171892731
1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872018
1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872435
6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde
CID 171872080

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol?
The IUPAC name of 1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol (CID 171872100) is 1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol.
What is the SMILES notation for 1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol?
The canonical SMILES for 1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol is Nc1ncc(C(O)C(O)CCO)nc1Cl.
What is the InChIKey of 1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol?
The InChIKey is DYABECUUFWIPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3/c9-7-8(10)11-3-4(12-7)6(15)5(14)1-2-13/h3,5-6,13-15H,1-2H2,(H2,10,11).
What are the key properties of 1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol?
1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol has a molecular weight of 233.65 g/mol, XLogP of -0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol is sourced from PubChem (CID 171872100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).