5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile

C6H9N3 — CID 155005618

IUPAC5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile
SMILESCC1=CNC(C#N)CN1
InChIInChI=1S/C6H9N3/c1-5-3-9-6(2-7)4-8-5/h3,6,8-9H,4H2,1H3
InChIKeyAJIPFXLGZKSUNR-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.07
Rot. Bonds

About 5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile

5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile (PubChem CID 155005618) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile
PubChem CID155005618
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile
SMILESCC1=CNC(C#N)CN1
InChIInChI=1S/C6H9N3/c1-5-3-9-6(2-7)4-8-5/h3,6,8-9H,4H2,1H3
InChIKeyAJIPFXLGZKSUNR-UHFFFAOYSA-N
XLogP-0.07
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile?
The IUPAC name of 5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile (CID 155005618) is 5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile.
What is the SMILES notation for 5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile?
The canonical SMILES for 5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile is CC1=CNC(C#N)CN1.
What is the InChIKey of 5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile?
The InChIKey is AJIPFXLGZKSUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-3-9-6(2-7)4-8-5/h3,6,8-9H,4H2,1H3.
What are the key properties of 5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile?
5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile has a molecular weight of 123.16 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile is sourced from PubChem (CID 155005618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).