5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile

C12H16N4 — CID 107413331

IUPAC5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
SMILESCC1CCC(CNc2cnc(C#N)cn2)C1
InChIInChI=1S/C12H16N4/c1-9-2-3-10(4-9)6-15-12-8-14-11(5-13)7-16-12/h7-10H,2-4,6H2,1H3,(H,15,16)
InChIKeyRBOHPLIWNNFKIF-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.20
Rot. Bonds3

About 5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile

5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 107413331) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
PubChem CID107413331
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
SMILESCC1CCC(CNc2cnc(C#N)cn2)C1
InChIInChI=1S/C12H16N4/c1-9-2-3-10(4-9)6-15-12-8-14-11(5-13)7-16-12/h7-10H,2-4,6H2,1H3,(H,15,16)
InChIKeyRBOHPLIWNNFKIF-UHFFFAOYSA-N
XLogP2.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile (CID 107413331) is 5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile is CC1CCC(CNc2cnc(C#N)cn2)C1.
What is the InChIKey of 5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is RBOHPLIWNNFKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-2-3-10(4-9)6-15-12-8-14-11(5-13)7-16-12/h7-10H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile?
5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 107413331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).