3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one

C16H20N4O — CID 63759970

IUPAC3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one
SMILESNCC(Cc1ccccc1)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C16H20N4O/c17-11-13(10-12-4-2-1-3-5-12)19-15-16(21)20(9-8-18-15)14-6-7-14/h1-5,8-9,13-14H,6-7,10-11,17H2,(H,18,19)
InChIKeyBLLKYJSQMGVUHK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.56
Rot. Bonds6

About 3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one

3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one (PubChem CID 63759970) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one
PubChem CID63759970
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one
SMILESNCC(Cc1ccccc1)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C16H20N4O/c17-11-13(10-12-4-2-1-3-5-12)19-15-16(21)20(9-8-18-15)14-6-7-14/h1-5,8-9,13-14H,6-7,10-11,17H2,(H,18,19)
InChIKeyBLLKYJSQMGVUHK-UHFFFAOYSA-N
XLogP1.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one (CID 63759970) is 3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one is NCC(Cc1ccccc1)Nc1nccn(C2CC2)c1=O.
What is the InChIKey of 3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one?
The InChIKey is BLLKYJSQMGVUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-11-13(10-12-4-2-1-3-5-12)19-15-16(21)20(9-8-18-15)14-6-7-14/h1-5,8-9,13-14H,6-7,10-11,17H2,(H,18,19).
What are the key properties of 3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one?
3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 63759970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).