1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one

C12H14N4OS — CID 63830277

IUPAC1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCc2cscn2)nccn1C1CC1
InChIInChI=1S/C12H14N4OS/c17-12-11(13-4-3-9-7-18-8-15-9)14-5-6-16(12)10-1-2-10/h5-8,10H,1-4H2,(H,13,14)
InChIKeyZNZXDAHSZMHXQP-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.69
Rot. Bonds5

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

1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one (PubChem CID 63830277) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
PubChem CID63830277
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCc2cscn2)nccn1C1CC1
InChIInChI=1S/C12H14N4OS/c17-12-11(13-4-3-9-7-18-8-15-9)14-5-6-16(12)10-1-2-10/h5-8,10H,1-4H2,(H,13,14)
InChIKeyZNZXDAHSZMHXQP-UHFFFAOYSA-N
XLogP1.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one (CID 63830277) is 1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one is O=c1c(NCCc2cscn2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The InChIKey is ZNZXDAHSZMHXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-12-11(13-4-3-9-7-18-8-15-9)14-5-6-16(12)10-1-2-10/h5-8,10H,1-4H2,(H,13,14).
What are the key properties of 1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one has a molecular weight of 262.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 63830277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).