3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile

C9H10F2N4O — CID 107479569

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N(CCO)CC(F)F
InChIInChI=1S/C9H10F2N4O/c10-8(11)6-15(3-4-16)9-7(5-12)13-1-2-14-9/h1-2,8,16H,3-4,6H2
InChIKeyPVLYVQJZCAMSKI-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.41
Rot. Bonds5

About 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile (PubChem CID 107479569) has the molecular formula C9H10F2N4O and a molecular weight of 228.20 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile
PubChem CID107479569
Molecular FormulaC9H10F2N4O
Molecular Weight228.20 g/mol
Exact Mass228.08
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N(CCO)CC(F)F
InChIInChI=1S/C9H10F2N4O/c10-8(11)6-15(3-4-16)9-7(5-12)13-1-2-14-9/h1-2,8,16H,3-4,6H2
InChIKeyPVLYVQJZCAMSKI-UHFFFAOYSA-N
XLogP0.41
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile (CID 107479569) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile is N#Cc1nccnc1N(CCO)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile?
The InChIKey is PVLYVQJZCAMSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O/c10-8(11)6-15(3-4-16)9-7(5-12)13-1-2-14-9/h1-2,8,16H,3-4,6H2.
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile has a molecular weight of 228.20 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 107479569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).