5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile

C11H14N4O — CID 104918213

IUPAC5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCC2CCOC2)cn1
InChIInChI=1S/C11H14N4O/c12-5-10-6-15-11(7-14-10)13-3-1-9-2-4-16-8-9/h6-7,9H,1-4,8H2,(H,13,15)
InChIKeyHSMMACSHPMTBHS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.19
Rot. Bonds4

About 5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile

5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 104918213) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile
PubChem CID104918213
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCC2CCOC2)cn1
InChIInChI=1S/C11H14N4O/c12-5-10-6-15-11(7-14-10)13-3-1-9-2-4-16-8-9/h6-7,9H,1-4,8H2,(H,13,15)
InChIKeyHSMMACSHPMTBHS-UHFFFAOYSA-N
XLogP1.19
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 133485428
5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490946
5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile
CID 115306779
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491288
5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413331
5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
CID 79839036
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid
CID 122053930
2-[2-(oxolan-3-yl)ethylamino]pyridine-4-carbothioamide
CID 114130396
6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide
CID 122562773
2-nitro-5-[2-(oxolan-3-yl)ethylamino]benzonitrile
CID 104844378

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile (CID 104918213) is 5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCCC2CCOC2)cn1.
What is the InChIKey of 5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is HSMMACSHPMTBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-5-10-6-15-11(7-14-10)13-3-1-9-2-4-16-8-9/h6-7,9H,1-4,8H2,(H,13,15).
What are the key properties of 5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile?
5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 104918213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).