3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one

C14H21N3O — CID 55155458

IUPAC3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C2CC2)C2CC2)c1=O
InChIInChI=1S/C14H21N3O/c1-2-8-17-9-7-15-13(14(17)18)16-12(10-3-4-10)11-5-6-11/h7,9-12H,2-6,8H2,1H3,(H,15,16)
InChIKeyBPZDJKQQWCZEKD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.25
Rot. Bonds6

About 3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one

3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one (PubChem CID 55155458) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one
PubChem CID55155458
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C2CC2)C2CC2)c1=O
InChIInChI=1S/C14H21N3O/c1-2-8-17-9-7-15-13(14(17)18)16-12(10-3-4-10)11-5-6-11/h7,9-12H,2-6,8H2,1H3,(H,15,16)
InChIKeyBPZDJKQQWCZEKD-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one?
The IUPAC name of 3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one (CID 55155458) is 3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one is CCCn1ccnc(NC(C2CC2)C2CC2)c1=O.
What is the InChIKey of 3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one?
The InChIKey is BPZDJKQQWCZEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-8-17-9-7-15-13(14(17)18)16-12(10-3-4-10)11-5-6-11/h7,9-12H,2-6,8H2,1H3,(H,15,16).
What are the key properties of 3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one?
3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethylamino)-1-propylpyrazin-2-one is sourced from PubChem (CID 55155458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).