3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile

C12H17N5 — CID 114961799

IUPAC3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile
SMILESCC1CCN(c2nccnc2C#N)CC1CN
InChIInChI=1S/C12H17N5/c1-9-2-5-17(8-10(9)6-13)12-11(7-14)15-3-4-16-12/h3-4,9-10H,2,5-6,8,13H2,1H3
InChIKeyHMXIPWINUNKZCR-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.77
Rot. Bonds2

About 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile

3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 114961799) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID114961799
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile
SMILESCC1CCN(c2nccnc2C#N)CC1CN
InChIInChI=1S/C12H17N5/c1-9-2-5-17(8-10(9)6-13)12-11(7-14)15-3-4-16-12/h3-4,9-10H,2,5-6,8,13H2,1H3
InChIKeyHMXIPWINUNKZCR-UHFFFAOYSA-N
XLogP0.77
TPSA78.83 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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile (CID 114961799) is 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile is CC1CCN(c2nccnc2C#N)CC1CN.
What is the InChIKey of 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is HMXIPWINUNKZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-2-5-17(8-10(9)6-13)12-11(7-14)15-3-4-16-12/h3-4,9-10H,2,5-6,8,13H2,1H3.
What are the key properties of 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile?
3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 114961799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).