3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile

C11H14N4O — CID 102740080

IUPAC3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile
SMILESCN(CCOc1nccnc1C#N)C1CC1
InChIInChI=1S/C11H14N4O/c1-15(9-2-3-9)6-7-16-11-10(8-12)13-4-5-14-11/h4-5,9H,2-3,6-7H2,1H3
InChIKeyDHQUAVNWCYWUTB-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.82
Rot. Bonds5

About 3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile

3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile (PubChem CID 102740080) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile
PubChem CID102740080
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile
SMILESCN(CCOc1nccnc1C#N)C1CC1
InChIInChI=1S/C11H14N4O/c1-15(9-2-3-9)6-7-16-11-10(8-12)13-4-5-14-11/h4-5,9H,2-3,6-7H2,1H3
InChIKeyDHQUAVNWCYWUTB-UHFFFAOYSA-N
XLogP0.82
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile (CID 102740080) is 3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile is CN(CCOc1nccnc1C#N)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile?
The InChIKey is DHQUAVNWCYWUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(9-2-3-9)6-7-16-11-10(8-12)13-4-5-14-11/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile?
3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile is sourced from PubChem (CID 102740080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).