1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one

C10H13F2N3O2 — CID 104858533

IUPAC1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one
SMILESO=c1c(NCC(F)(F)CO)nccn1C1CC1
InChIInChI=1S/C10H13F2N3O2/c11-10(12,6-16)5-14-8-9(17)15(4-3-13-8)7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,13,14)
InChIKeyHDMQYBKPVOUYLX-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.62
Rot. Bonds5

About 1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one

1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one (PubChem CID 104858533) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one
PubChem CID104858533
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one
SMILESO=c1c(NCC(F)(F)CO)nccn1C1CC1
InChIInChI=1S/C10H13F2N3O2/c11-10(12,6-16)5-14-8-9(17)15(4-3-13-8)7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,13,14)
InChIKeyHDMQYBKPVOUYLX-UHFFFAOYSA-N
XLogP0.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one (CID 104858533) is 1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one is O=c1c(NCC(F)(F)CO)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one?
The InChIKey is HDMQYBKPVOUYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c11-10(12,6-16)5-14-8-9(17)15(4-3-13-8)7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,13,14).
What are the key properties of 1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one?
1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one has a molecular weight of 245.23 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazin-2-one is sourced from PubChem (CID 104858533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).