1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one

C12H17N5O — CID 62940231

IUPAC1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one
SMILESCC(C)n1ccnc(NCCn2cccn2)c1=O
InChIInChI=1S/C12H17N5O/c1-10(2)17-9-6-14-11(12(17)18)13-5-8-16-7-3-4-15-16/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,13,14)
InChIKeyAMAJTTZRNQFDJW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.13
Rot. Bonds5

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

1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one (PubChem CID 62940231) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one
PubChem CID62940231
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one
SMILESCC(C)n1ccnc(NCCn2cccn2)c1=O
InChIInChI=1S/C12H17N5O/c1-10(2)17-9-6-14-11(12(17)18)13-5-8-16-7-3-4-15-16/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,13,14)
InChIKeyAMAJTTZRNQFDJW-UHFFFAOYSA-N
XLogP1.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.13
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-(2-pyrazol-1-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one (CID 62940231) is 1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one is CC(C)n1ccnc(NCCn2cccn2)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one?
The InChIKey is AMAJTTZRNQFDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-10(2)17-9-6-14-11(12(17)18)13-5-8-16-7-3-4-15-16/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,13,14).
What are the key properties of 1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one?
1-propan-2-yl-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.13, 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-(2-pyrazol-1-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 62940231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).