3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol

C7H8ClN3O — CID 169453132

IUPAC3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol
SMILESNc1cnc(C=CCO)c(Cl)n1
InChIInChI=1S/C7H8ClN3O/c8-7-5(2-1-3-12)10-4-6(9)11-7/h1-2,4,12H,3H2,(H2,9,11)
InChIKeyRFNHDQXLSHVYCC-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.72
Rot. Bonds2

About 3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol

3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol (PubChem CID 169453132) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol
PubChem CID169453132
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol
SMILESNc1cnc(C=CCO)c(Cl)n1
InChIInChI=1S/C7H8ClN3O/c8-7-5(2-1-3-12)10-4-6(9)11-7/h1-2,4,12H,3H2,(H2,9,11)
InChIKeyRFNHDQXLSHVYCC-UHFFFAOYSA-N
XLogP0.72
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol?
The IUPAC name of 3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol (CID 169453132) is 3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol is Nc1cnc(C=CCO)c(Cl)n1.
What is the InChIKey of 3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol?
The InChIKey is RFNHDQXLSHVYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c8-7-5(2-1-3-12)10-4-6(9)11-7/h1-2,4,12H,3H2,(H2,9,11).
What are the key properties of 3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol?
3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol has a molecular weight of 185.61 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 169453132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).