3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one

C12H20N4O — CID 63252226

IUPAC3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCCC2N)c1=O
InChIInChI=1S/C12H20N4O/c1-2-7-16-8-6-14-11(12(16)17)15-10-5-3-4-9(10)13/h6,8-10H,2-5,7,13H2,1H3,(H,14,15)
InChIKeyCPWVTZAHXAMISN-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.94
Rot. Bonds4

About 3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one

3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one (PubChem CID 63252226) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
PubChem CID63252226
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCCC2N)c1=O
InChIInChI=1S/C12H20N4O/c1-2-7-16-8-6-14-11(12(16)17)15-10-5-3-4-9(10)13/h6,8-10H,2-5,7,13H2,1H3,(H,14,15)
InChIKeyCPWVTZAHXAMISN-UHFFFAOYSA-N
XLogP0.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one (CID 63252226) is 3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2CCCC2N)c1=O.
What is the InChIKey of 3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one?
The InChIKey is CPWVTZAHXAMISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-7-16-8-6-14-11(12(16)17)15-10-5-3-4-9(10)13/h6,8-10H,2-5,7,13H2,1H3,(H,14,15).
What are the key properties of 3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one?
3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 63252226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).