4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol

C8H10ClN3O — CID 170476337

IUPAC4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol
SMILESNc1cnc(C=CCCO)c(Cl)n1
InChIInChI=1S/C8H10ClN3O/c9-8-6(3-1-2-4-13)11-5-7(10)12-8/h1,3,5,13H,2,4H2,(H2,10,12)
InChIKeyGYGQTFFNUHEIFT-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.11
Rot. Bonds3

About 4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol

4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol (PubChem CID 170476337) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol
PubChem CID170476337
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol
SMILESNc1cnc(C=CCCO)c(Cl)n1
InChIInChI=1S/C8H10ClN3O/c9-8-6(3-1-2-4-13)11-5-7(10)12-8/h1,3,5,13H,2,4H2,(H2,10,12)
InChIKeyGYGQTFFNUHEIFT-UHFFFAOYSA-N
XLogP1.11
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol?
The IUPAC name of 4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol (CID 170476337) is 4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol.
What is the SMILES notation for 4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol?
The canonical SMILES for 4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol is Nc1cnc(C=CCCO)c(Cl)n1.
What is the InChIKey of 4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol?
The InChIKey is GYGQTFFNUHEIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-8-6(3-1-2-4-13)11-5-7(10)12-8/h1,3,5,13H,2,4H2,(H2,10,12).
What are the key properties of 4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol?
4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol has a molecular weight of 199.64 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol is sourced from PubChem (CID 170476337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).