3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile

C14H20N4O — CID 71918762

IUPAC3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile
SMILESCOCCC1(CNc2nccnc2C#N)CCCC1
InChIInChI=1S/C14H20N4O/c1-19-9-6-14(4-2-3-5-14)11-18-13-12(10-15)16-7-8-17-13/h7-8H,2-6,9,11H2,1H3,(H,17,18)
InChIKeyBBWOUQBCLULKIW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.36
Rot. Bonds6

About 3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile

3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 71918762) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile
PubChem CID71918762
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile
SMILESCOCCC1(CNc2nccnc2C#N)CCCC1
InChIInChI=1S/C14H20N4O/c1-19-9-6-14(4-2-3-5-14)11-18-13-12(10-15)16-7-8-17-13/h7-8H,2-6,9,11H2,1H3,(H,17,18)
InChIKeyBBWOUQBCLULKIW-UHFFFAOYSA-N
XLogP2.36
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile (CID 71918762) is 3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile is COCCC1(CNc2nccnc2C#N)CCCC1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is BBWOUQBCLULKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-19-9-6-14(4-2-3-5-14)11-18-13-12(10-15)16-7-8-17-13/h7-8H,2-6,9,11H2,1H3,(H,17,18).
What are the key properties of 3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile?
3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 71918762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).