5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

C10H12N4O — CID 91648275

IUPAC5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC[C@@H]2CO)cn1
InChIInChI=1S/C10H12N4O/c11-4-8-5-13-10(6-12-8)14-3-1-2-9(14)7-15/h5-6,9,15H,1-3,7H2/t9-/m1/s1
InChIKeyHAHXFUFKCVAVCK-SECBINFHSA-N
MW204.23 g/mol
LogP0.31
Rot. Bonds2

About 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 91648275) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID91648275
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC[C@@H]2CO)cn1
InChIInChI=1S/C10H12N4O/c11-4-8-5-13-10(6-12-8)14-3-1-2-9(14)7-15/h5-6,9,15H,1-3,7H2/t9-/m1/s1
InChIKeyHAHXFUFKCVAVCK-SECBINFHSA-N
XLogP0.31
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 91648275) is 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCC[C@@H]2CO)cn1.
What is the InChIKey of 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is HAHXFUFKCVAVCK-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N4O/c11-4-8-5-13-10(6-12-8)14-3-1-2-9(14)7-15/h5-6,9,15H,1-3,7H2/t9-/m1/s1.
What are the key properties of 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 91648275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).