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

C12H14N4OS — CID 55154880

IUPAC1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one
SMILESCc1csc(CNc2nccn(C3CC3)c2=O)n1
InChIInChI=1S/C12H14N4OS/c1-8-7-18-10(15-8)6-14-11-12(17)16(5-4-13-11)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)
InChIKeyKEGXHOSWEPZQJI-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.96
Rot. Bonds4

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

1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one (PubChem CID 55154880) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one
PubChem CID55154880
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one
SMILESCc1csc(CNc2nccn(C3CC3)c2=O)n1
InChIInChI=1S/C12H14N4OS/c1-8-7-18-10(15-8)6-14-11-12(17)16(5-4-13-11)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)
InChIKeyKEGXHOSWEPZQJI-UHFFFAOYSA-N
XLogP1.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one (CID 55154880) is 1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one is Cc1csc(CNc2nccn(C3CC3)c2=O)n1.
What is the InChIKey of 1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one?
The InChIKey is KEGXHOSWEPZQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-7-18-10(15-8)6-14-11-12(17)16(5-4-13-11)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one?
1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one has a molecular weight of 262.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 55154880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).