3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile

C10H14N4O — CID 71996015

IUPAC3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile
SMILESCC(O)CCN(C)c1nccnc1C#N
InChIInChI=1S/C10H14N4O/c1-8(15)3-6-14(2)10-9(7-11)12-4-5-13-10/h4-5,8,15H,3,6H2,1-2H3
InChIKeyWHNNOQPDWUVDGY-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.56
Rot. Bonds4

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

3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile (PubChem CID 71996015) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile
PubChem CID71996015
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile
SMILESCC(O)CCN(C)c1nccnc1C#N
InChIInChI=1S/C10H14N4O/c1-8(15)3-6-14(2)10-9(7-11)12-4-5-13-10/h4-5,8,15H,3,6H2,1-2H3
InChIKeyWHNNOQPDWUVDGY-UHFFFAOYSA-N
XLogP0.56
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile (CID 71996015) is 3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile is CC(O)CCN(C)c1nccnc1C#N.
What is the InChIKey of 3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile?
The InChIKey is WHNNOQPDWUVDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(15)3-6-14(2)10-9(7-11)12-4-5-13-10/h4-5,8,15H,3,6H2,1-2H3.
What are the key properties of 3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile?
3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 71996015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).