1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol

C7H9BrClN3O — CID 20823757

IUPAC1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1ncc(Br)nc1Cl
InChIInChI=1S/C7H9BrClN3O/c1-4(13)2-10-7-6(9)12-5(8)3-11-7/h3-4,13H,2H2,1H3,(H,10,11)
InChIKeyKTRGUMXJLRSTDL-UHFFFAOYSA-N
MW266.53 g/mol
LogP1.69
Rot. Bonds3

About 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol

1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol (PubChem CID 20823757) has the molecular formula C7H9BrClN3O and a molecular weight of 266.53 g/mol. Its IUPAC name is 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol
PubChem CID20823757
Molecular FormulaC7H9BrClN3O
Molecular Weight266.53 g/mol
Exact Mass264.96
IUPAC Name1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1ncc(Br)nc1Cl
InChIInChI=1S/C7H9BrClN3O/c1-4(13)2-10-7-6(9)12-5(8)3-11-7/h3-4,13H,2H2,1H3,(H,10,11)
InChIKeyKTRGUMXJLRSTDL-UHFFFAOYSA-N
XLogP1.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.53
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol (CID 20823757) is 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol is CC(O)CNc1ncc(Br)nc1Cl.
What is the InChIKey of 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol?
The InChIKey is KTRGUMXJLRSTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClN3O/c1-4(13)2-10-7-6(9)12-5(8)3-11-7/h3-4,13H,2H2,1H3,(H,10,11).
What are the key properties of 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol?
1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol has a molecular weight of 266.53 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 20823757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).