6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one

C7H10BrN3O — CID 57444844

IUPAC6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one
SMILESCC(C)Nc1ncc(Br)[nH]c1=O
InChIInChI=1S/C7H10BrN3O/c1-4(2)10-6-7(12)11-5(8)3-9-6/h3-4H,1-2H3,(H,9,10)(H,11,12)
InChIKeyNDUVZXAXDRQDFB-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.35
Rot. Bonds2

About 6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one

6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one (PubChem CID 57444844) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one
PubChem CID57444844
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one
SMILESCC(C)Nc1ncc(Br)[nH]c1=O
InChIInChI=1S/C7H10BrN3O/c1-4(2)10-6-7(12)11-5(8)3-9-6/h3-4H,1-2H3,(H,9,10)(H,11,12)
InChIKeyNDUVZXAXDRQDFB-UHFFFAOYSA-N
XLogP1.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one?
The IUPAC name of 6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one (CID 57444844) is 6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one?
The canonical SMILES for 6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one is CC(C)Nc1ncc(Br)[nH]c1=O.
What is the InChIKey of 6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one?
The InChIKey is NDUVZXAXDRQDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-4(2)10-6-7(12)11-5(8)3-9-6/h3-4H,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one?
6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one has a molecular weight of 232.08 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(propan-2-ylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 57444844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).