1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one

C13H19N5O — CID 62940390

IUPAC1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one
SMILESCC(Cn1cccn1)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C13H19N5O/c1-10(2)18-8-6-14-12(13(18)19)16-11(3)9-17-7-4-5-15-17/h4-8,10-11H,9H2,1-3H3,(H,14,16)
InChIKeyJYGNNDWULSQICH-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.52
Rot. Bonds5

About 1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one

1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one (PubChem CID 62940390) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one
PubChem CID62940390
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one
SMILESCC(Cn1cccn1)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C13H19N5O/c1-10(2)18-8-6-14-12(13(18)19)16-11(3)9-17-7-4-5-15-17/h4-8,10-11H,9H2,1-3H3,(H,14,16)
InChIKeyJYGNNDWULSQICH-UHFFFAOYSA-N
XLogP1.52
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one (CID 62940390) is 1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one is CC(Cn1cccn1)Nc1nccn(C(C)C)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one?
The InChIKey is JYGNNDWULSQICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)18-8-6-14-12(13(18)19)16-11(3)9-17-7-4-5-15-17/h4-8,10-11H,9H2,1-3H3,(H,14,16).
What are the key properties of 1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one?
1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one has a molecular weight of 261.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 62940390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).