3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile

C12H17N5 — CID 115605254

IUPAC3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
SMILESCC1CN(C)CCC1Nc1nccnc1C#N
InChIInChI=1S/C12H17N5/c1-9-8-17(2)6-3-10(9)16-12-11(7-13)14-4-5-15-12/h4-5,9-10H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyCILVATXPFMDJBG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.10
Rot. Bonds2

About 3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile

3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile (PubChem CID 115605254) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
PubChem CID115605254
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
SMILESCC1CN(C)CCC1Nc1nccnc1C#N
InChIInChI=1S/C12H17N5/c1-9-8-17(2)6-3-10(9)16-12-11(7-13)14-4-5-15-12/h4-5,9-10H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyCILVATXPFMDJBG-UHFFFAOYSA-N
XLogP1.10
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile (CID 115605254) is 3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile is CC1CN(C)CCC1Nc1nccnc1C#N.
What is the InChIKey of 3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is CILVATXPFMDJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-8-17(2)6-3-10(9)16-12-11(7-13)14-4-5-15-12/h4-5,9-10H,3,6,8H2,1-2H3,(H,15,16).
What are the key properties of 3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile?
3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 115605254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).