5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile

C12H17N5 — CID 81463984

IUPAC5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCC1CN(c2cnc(C#N)cn2)CC1N(C)C
InChIInChI=1S/C12H17N5/c1-9-7-17(8-11(9)16(2)3)12-6-14-10(4-13)5-15-12/h5-6,9,11H,7-8H2,1-3H3
InChIKeyYBDZYOLSGZNIRO-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.73
Rot. Bonds2

About 5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 81463984) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID81463984
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCC1CN(c2cnc(C#N)cn2)CC1N(C)C
InChIInChI=1S/C12H17N5/c1-9-7-17(8-11(9)16(2)3)12-6-14-10(4-13)5-15-12/h5-6,9,11H,7-8H2,1-3H3
InChIKeyYBDZYOLSGZNIRO-UHFFFAOYSA-N
XLogP0.73
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 81463984) is 5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile is CC1CN(c2cnc(C#N)cn2)CC1N(C)C.
What is the InChIKey of 5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is YBDZYOLSGZNIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-7-17(8-11(9)16(2)3)12-6-14-10(4-13)5-15-12/h5-6,9,11H,7-8H2,1-3H3.
What are the key properties of 5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 81463984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).