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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Related Compounds

3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 163345938
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylbenzonitrile
CID 114961752
[1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961719
[1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961839
[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 114961622
3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133396027
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 63241718
3-[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]pyrazine-2-carbonitrile
CID 129447030
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133284179
3-[2-(methoxymethyl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 71996195

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).