2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one

C8H10ClN3O — CID 112709848

IUPAC2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one
SMILESCc1nc(C(=O)C(C)N)cnc1Cl
InChIInChI=1S/C8H10ClN3O/c1-4(10)7(13)6-3-11-8(9)5(2)12-6/h3-4H,10H2,1-2H3
InChIKeyBBROTUPJIHACPM-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.97
Rot. Bonds2

About 2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one

2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one (PubChem CID 112709848) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one
PubChem CID112709848
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one
SMILESCc1nc(C(=O)C(C)N)cnc1Cl
InChIInChI=1S/C8H10ClN3O/c1-4(10)7(13)6-3-11-8(9)5(2)12-6/h3-4H,10H2,1-2H3
InChIKeyBBROTUPJIHACPM-UHFFFAOYSA-N
XLogP0.97
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one?
The IUPAC name of 2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one (CID 112709848) is 2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one is Cc1nc(C(=O)C(C)N)cnc1Cl.
What is the InChIKey of 2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one?
The InChIKey is BBROTUPJIHACPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-4(10)7(13)6-3-11-8(9)5(2)12-6/h3-4H,10H2,1-2H3.
What are the key properties of 2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one?
2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one has a molecular weight of 199.64 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one is sourced from PubChem (CID 112709848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).