1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one

C11H14N6O — CID 113356058

IUPAC1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
SMILESCC(Nc1nccn(C2CC2)c1=O)c1ncn[nH]1
InChIInChI=1S/C11H14N6O/c1-7(9-13-6-14-16-9)15-10-11(18)17(5-4-12-10)8-2-3-8/h4-8H,2-3H2,1H3,(H,12,15)(H,13,14,16)
InChIKeyGLHZNRZNEAMIKN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.87
Rot. Bonds4

About 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one

1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one (PubChem CID 113356058) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
PubChem CID113356058
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
SMILESCC(Nc1nccn(C2CC2)c1=O)c1ncn[nH]1
InChIInChI=1S/C11H14N6O/c1-7(9-13-6-14-16-9)15-10-11(18)17(5-4-12-10)8-2-3-8/h4-8H,2-3H2,1H3,(H,12,15)(H,13,14,16)
InChIKeyGLHZNRZNEAMIKN-UHFFFAOYSA-N
XLogP0.87
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one (CID 113356058) is 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one is CC(Nc1nccn(C2CC2)c1=O)c1ncn[nH]1.
What is the InChIKey of 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one?
The InChIKey is GLHZNRZNEAMIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7(9-13-6-14-16-9)15-10-11(18)17(5-4-12-10)8-2-3-8/h4-8H,2-3H2,1H3,(H,12,15)(H,13,14,16).
What are the key properties of 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one?
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one has a molecular weight of 246.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 113356058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).