5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile

C15H20N4O — CID 129491902

IUPAC5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C15H20N4O/c16-8-11-9-18-15(10-17-11)19-7-3-5-13(19)12-4-1-2-6-14(12)20/h9-10,12-14,20H,1-7H2/t12-,13+,14-/m0/s1
InChIKeyGVLXAJVJADWBTN-MJBXVCDLSA-N
MW272.35 g/mol
LogP1.87
Rot. Bonds2

About 5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 129491902) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID129491902
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C15H20N4O/c16-8-11-9-18-15(10-17-11)19-7-3-5-13(19)12-4-1-2-6-14(12)20/h9-10,12-14,20H,1-7H2/t12-,13+,14-/m0/s1
InChIKeyGVLXAJVJADWBTN-MJBXVCDLSA-N
XLogP1.87
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 129491902) is 5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cn1.
What is the InChIKey of 5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is GVLXAJVJADWBTN-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H20N4O/c16-8-11-9-18-15(10-17-11)19-7-3-5-13(19)12-4-1-2-6-14(12)20/h9-10,12-14,20H,1-7H2/t12-,13+,14-/m0/s1.
What are the key properties of 5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 129491902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).