3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol

C7H10ClN3O2 — CID 66169969

IUPAC3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol
SMILESOCC(O)CNc1nccnc1Cl
InChIInChI=1S/C7H10ClN3O2/c8-6-7(10-2-1-9-6)11-3-5(13)4-12/h1-2,5,12-13H,3-4H2,(H,10,11)
InChIKeyXSIDUWKHGZIKNF-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.10
Rot. Bonds4

About 3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol

3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol (PubChem CID 66169969) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol
PubChem CID66169969
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol
SMILESOCC(O)CNc1nccnc1Cl
InChIInChI=1S/C7H10ClN3O2/c8-6-7(10-2-1-9-6)11-3-5(13)4-12/h1-2,5,12-13H,3-4H2,(H,10,11)
InChIKeyXSIDUWKHGZIKNF-UHFFFAOYSA-N
XLogP-0.10
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol (CID 66169969) is 3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol is OCC(O)CNc1nccnc1Cl.
What is the InChIKey of 3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol?
The InChIKey is XSIDUWKHGZIKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-6-7(10-2-1-9-6)11-3-5(13)4-12/h1-2,5,12-13H,3-4H2,(H,10,11).
What are the key properties of 3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol?
3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol has a molecular weight of 203.63 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol is sourced from PubChem (CID 66169969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).