5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride

C15H22ClN5O — CID 128989369

IUPAC5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(c2cnc(C#N)cn2)C1.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-21-14-6-13(10-19-4-2-3-5-19)20(11-14)15-9-17-12(7-16)8-18-15;/h8-9,13-14H,2-6,10-11H2,1H3;1H/t13-,14-;/m0./s1
InChIKeyUCXDJXYWEOCILN-IODNYQNNSA-N
MW323.83 g/mol
LogP1.46
Rot. Bonds4

About 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride

5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride (PubChem CID 128989369) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride
PubChem CID128989369
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(c2cnc(C#N)cn2)C1.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-21-14-6-13(10-19-4-2-3-5-19)20(11-14)15-9-17-12(7-16)8-18-15;/h8-9,13-14H,2-6,10-11H2,1H3;1H/t13-,14-;/m0./s1
InChIKeyUCXDJXYWEOCILN-IODNYQNNSA-N
XLogP1.46
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride?
The IUPAC name of 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride (CID 128989369) is 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride?
The canonical SMILES for 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride is CO[C@H]1C[C@@H](CN2CCCC2)N(c2cnc(C#N)cn2)C1.Cl.
What is the InChIKey of 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride?
The InChIKey is UCXDJXYWEOCILN-IODNYQNNSA-N. The full InChI is InChI=1S/C15H21N5O.ClH/c1-21-14-6-13(10-19-4-2-3-5-19)20(11-14)15-9-17-12(7-16)8-18-15;/h8-9,13-14H,2-6,10-11H2,1H3;1H/t13-,14-;/m0./s1.
What are the key properties of 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride?
5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride has a molecular weight of 323.83 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 128989369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).