5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile

C9H10N4O — CID 104696756

IUPAC5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CC[C@H](O)C2)cn1
InChIInChI=1S/C9H10N4O/c10-3-7-4-12-9(5-11-7)13-2-1-8(14)6-13/h4-5,8,14H,1-2,6H2/t8-/m0/s1
InChIKeyBFWLCCWQUZASRV-QMMMGPOBSA-N
MW190.21 g/mol
LogP-0.08
Rot. Bonds1

About 5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 104696756) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID104696756
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CC[C@H](O)C2)cn1
InChIInChI=1S/C9H10N4O/c10-3-7-4-12-9(5-11-7)13-2-1-8(14)6-13/h4-5,8,14H,1-2,6H2/t8-/m0/s1
InChIKeyBFWLCCWQUZASRV-QMMMGPOBSA-N
XLogP-0.08
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 104918116
(3R)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416138
(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416146
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 114382889
5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 79867314
5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 133485263
5-[2-(oxolan-2-yl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 133491078
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133485866
5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 133485048
5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133291320
5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133291219

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 104696756) is 5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CC[C@H](O)C2)cn1.
What is the InChIKey of 5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is BFWLCCWQUZASRV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10N4O/c10-3-7-4-12-9(5-11-7)13-2-1-8(14)6-13/h4-5,8,14H,1-2,6H2/t8-/m0/s1.
What are the key properties of 5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 190.21 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 104696756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).