5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile

C15H20N4O — CID 133484354

IUPAC5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N(CC2CCCO2)C2CCCC2)cn1
InChIInChI=1S/C15H20N4O/c16-8-12-9-18-15(10-17-12)19(13-4-1-2-5-13)11-14-6-3-7-20-14/h9-10,13-14H,1-7,11H2
InChIKeyFSLBVYSSOSNNCY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds4

About 5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile

5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile (PubChem CID 133484354) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile
PubChem CID133484354
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N(CC2CCCO2)C2CCCC2)cn1
InChIInChI=1S/C15H20N4O/c16-8-12-9-18-15(10-17-12)19(13-4-1-2-5-13)11-14-6-3-7-20-14/h9-10,13-14H,1-7,11H2
InChIKeyFSLBVYSSOSNNCY-UHFFFAOYSA-N
XLogP2.28
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile (CID 133484354) is 5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile is N#Cc1cnc(N(CC2CCCO2)C2CCCC2)cn1.
What is the InChIKey of 5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile?
The InChIKey is FSLBVYSSOSNNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-8-12-9-18-15(10-17-12)19(13-4-1-2-5-13)11-14-6-3-7-20-14/h9-10,13-14H,1-7,11H2.
What are the key properties of 5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile?
5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentyl(oxolan-2-ylmethyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).