2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol

C16H22N6O2 — CID 95823878

IUPAC2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol
SMILESOCC(CO)N1CCC(c2nccnc2Nc2cnccn2)CC1
InChIInChI=1S/C16H22N6O2/c23-10-13(11-24)22-7-1-12(2-8-22)15-16(20-6-5-19-15)21-14-9-17-3-4-18-14/h3-6,9,12-13,23-24H,1-2,7-8,10-11H2,(H,18,20,21)
InChIKeyWYNQUVCMJOWNPV-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.54
Rot. Bonds6

About 2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol

2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol (PubChem CID 95823878) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol
PubChem CID95823878
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol
SMILESOCC(CO)N1CCC(c2nccnc2Nc2cnccn2)CC1
InChIInChI=1S/C16H22N6O2/c23-10-13(11-24)22-7-1-12(2-8-22)15-16(20-6-5-19-15)21-14-9-17-3-4-18-14/h3-6,9,12-13,23-24H,1-2,7-8,10-11H2,(H,18,20,21)
InChIKeyWYNQUVCMJOWNPV-UHFFFAOYSA-N
XLogP0.54
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?
The IUPAC name of 2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol (CID 95823878) is 2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol is OCC(CO)N1CCC(c2nccnc2Nc2cnccn2)CC1.
What is the InChIKey of 2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?
The InChIKey is WYNQUVCMJOWNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c23-10-13(11-24)22-7-1-12(2-8-22)15-16(20-6-5-19-15)21-14-9-17-3-4-18-14/h3-6,9,12-13,23-24H,1-2,7-8,10-11H2,(H,18,20,21).
What are the key properties of 2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?
2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol has a molecular weight of 330.39 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol is sourced from PubChem (CID 95823878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).