3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile

C10H14N4 — CID 62685730

IUPAC3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile
SMILESCCC(C)N(C)c1nccnc1C#N
InChIInChI=1S/C10H14N4/c1-4-8(2)14(3)10-9(7-11)12-5-6-13-10/h5-6,8H,4H2,1-3H3
InChIKeyDQCDZLOAODIGLJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.58
Rot. Bonds3

About 3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile

3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile (PubChem CID 62685730) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile
PubChem CID62685730
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile
SMILESCCC(C)N(C)c1nccnc1C#N
InChIInChI=1S/C10H14N4/c1-4-8(2)14(3)10-9(7-11)12-5-6-13-10/h5-6,8H,4H2,1-3H3
InChIKeyDQCDZLOAODIGLJ-UHFFFAOYSA-N
XLogP1.58
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile (CID 62685730) is 3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile is CCC(C)N(C)c1nccnc1C#N.
What is the InChIKey of 3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile?
The InChIKey is DQCDZLOAODIGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-4-8(2)14(3)10-9(7-11)12-5-6-13-10/h5-6,8H,4H2,1-3H3.
What are the key properties of 3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile?
3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62685730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).