3-amino-1-propylpyrazin-2-one

C7H11N3O — CID 53015114

IUPAC3-amino-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N)c1=O
InChIInChI=1S/C7H11N3O/c1-2-4-10-5-3-9-6(8)7(10)11/h3,5H,2,4H2,1H3,(H2,8,9)
InChIKeyFBUSBGFQWZXPBZ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.24
Rot. Bonds2

About 3-amino-1-propylpyrazin-2-one

3-amino-1-propylpyrazin-2-one (PubChem CID 53015114) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-amino-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-amino-1-propylpyrazin-2-one
PubChem CID53015114
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-amino-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N)c1=O
InChIInChI=1S/C7H11N3O/c1-2-4-10-5-3-9-6(8)7(10)11/h3,5H,2,4H2,1H3,(H2,8,9)
InChIKeyFBUSBGFQWZXPBZ-UHFFFAOYSA-N
XLogP0.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-propylpyrazin-2-one?
The IUPAC name of 3-amino-1-propylpyrazin-2-one (CID 53015114) is 3-amino-1-propylpyrazin-2-one.
What is the SMILES notation for 3-amino-1-propylpyrazin-2-one?
The canonical SMILES for 3-amino-1-propylpyrazin-2-one is CCCn1ccnc(N)c1=O.
What is the InChIKey of 3-amino-1-propylpyrazin-2-one?
The InChIKey is FBUSBGFQWZXPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-4-10-5-3-9-6(8)7(10)11/h3,5H,2,4H2,1H3,(H2,8,9).
What are the key properties of 3-amino-1-propylpyrazin-2-one?
3-amino-1-propylpyrazin-2-one has a molecular weight of 153.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-propylpyrazin-2-one is sourced from PubChem (CID 53015114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).