1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol

C7H10ClN3O2 — CID 171861554

IUPAC1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol
SMILESNc1cnc(C(O)C(O)CCl)cn1
InChIInChI=1S/C7H10ClN3O2/c8-1-5(12)7(13)4-2-11-6(9)3-10-4/h2-3,5,7,12-13H,1H2,(H2,9,11)
InChIKeyPJLKERPYIFEQSX-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.31
Rot. Bonds3

About 1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol

1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol (PubChem CID 171861554) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol.

Molecular Properties

Compound Name1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol
PubChem CID171861554
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol
SMILESNc1cnc(C(O)C(O)CCl)cn1
InChIInChI=1S/C7H10ClN3O2/c8-1-5(12)7(13)4-2-11-6(9)3-10-4/h2-3,5,7,12-13H,1H2,(H2,9,11)
InChIKeyPJLKERPYIFEQSX-UHFFFAOYSA-N
XLogP-0.31
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol 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 1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol?
The IUPAC name of 1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol (CID 171861554) is 1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol.
What is the SMILES notation for 1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol?
The canonical SMILES for 1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol is Nc1cnc(C(O)C(O)CCl)cn1.
What is the InChIKey of 1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol?
The InChIKey is PJLKERPYIFEQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-1-5(12)7(13)4-2-11-6(9)3-10-4/h2-3,5,7,12-13H,1H2,(H2,9,11).
What are the key properties of 1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol?
1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol has a molecular weight of 203.63 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol is sourced from PubChem (CID 171861554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).