5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile

C11H15N5 — CID 114697126

IUPAC5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
SMILESCC1(Nc2cnc(C#N)cn2)CCNCC1
InChIInChI=1S/C11H15N5/c1-11(2-4-13-5-3-11)16-10-8-14-9(6-12)7-15-10/h7-8,13H,2-5H2,1H3,(H,15,16)
InChIKeyIBRDYRJTJMCQCQ-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.90
Rot. Bonds2

About 5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile

5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile (PubChem CID 114697126) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
PubChem CID114697126
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
SMILESCC1(Nc2cnc(C#N)cn2)CCNCC1
InChIInChI=1S/C11H15N5/c1-11(2-4-13-5-3-11)16-10-8-14-9(6-12)7-15-10/h7-8,13H,2-5H2,1H3,(H,15,16)
InChIKeyIBRDYRJTJMCQCQ-UHFFFAOYSA-N
XLogP0.90
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile (CID 114697126) is 5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile is CC1(Nc2cnc(C#N)cn2)CCNCC1.
What is the InChIKey of 5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is IBRDYRJTJMCQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-11(2-4-13-5-3-11)16-10-8-14-9(6-12)7-15-10/h7-8,13H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile?
5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperidin-4-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 114697126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).