1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one

C13H19N5O — CID 62940551

IUPAC1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one
SMILESCCCn1ccnc(NC(C)Cn2cccn2)c1=O
InChIInChI=1S/C13H19N5O/c1-3-7-17-9-6-14-12(13(17)19)16-11(2)10-18-8-4-5-15-18/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,14,16)
InChIKeyXYLXIFKQBQWQNV-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.35
Rot. Bonds6

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

1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one (PubChem CID 62940551) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one
PubChem CID62940551
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one
SMILESCCCn1ccnc(NC(C)Cn2cccn2)c1=O
InChIInChI=1S/C13H19N5O/c1-3-7-17-9-6-14-12(13(17)19)16-11(2)10-18-8-4-5-15-18/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,14,16)
InChIKeyXYLXIFKQBQWQNV-UHFFFAOYSA-N
XLogP1.35
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one (CID 62940551) is 1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one is CCCn1ccnc(NC(C)Cn2cccn2)c1=O.
What is the InChIKey of 1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one?
The InChIKey is XYLXIFKQBQWQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-7-17-9-6-14-12(13(17)19)16-11(2)10-18-8-4-5-15-18/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,14,16).
What are the key properties of 1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one?
1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one has a molecular weight of 261.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 62940551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).