3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile

C13H19N5O — CID 71995894

IUPAC3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCCC(CO)N1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C13H19N5O/c1-2-11(10-19)17-5-7-18(8-6-17)13-12(9-14)15-3-4-16-13/h3-4,11,19H,2,5-8,10H2,1H3
InChIKeyUSBGQVFKWJWNLZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.24
Rot. Bonds4

About 3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 71995894) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID71995894
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCCC(CO)N1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C13H19N5O/c1-2-11(10-19)17-5-7-18(8-6-17)13-12(9-14)15-3-4-16-13/h3-4,11,19H,2,5-8,10H2,1H3
InChIKeyUSBGQVFKWJWNLZ-UHFFFAOYSA-N
XLogP0.24
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 71995894) is 3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile is CCC(CO)N1CCN(c2nccnc2C#N)CC1.
What is the InChIKey of 3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is USBGQVFKWJWNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-11(10-19)17-5-7-18(8-6-17)13-12(9-14)15-3-4-16-13/h3-4,11,19H,2,5-8,10H2,1H3.
What are the key properties of 3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 71995894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).