[(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol

C10H14ClN3O — CID 97169735

IUPAC[(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(Cc2nccnc2Cl)C1
InChIInChI=1S/C10H14ClN3O/c11-10-9(12-2-3-13-10)6-14-4-1-8(5-14)7-15/h2-3,8,15H,1,4-7H2/t8-/m0/s1
InChIKeyHFRUKICDNRLGNG-QMMMGPOBSA-N
MW227.69 g/mol
LogP0.94
Rot. Bonds3

About [(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol

[(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 97169735) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is [(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID97169735
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name[(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(Cc2nccnc2Cl)C1
InChIInChI=1S/C10H14ClN3O/c11-10-9(12-2-3-13-10)6-14-4-1-8(5-14)7-15/h2-3,8,15H,1,4-7H2/t8-/m0/s1
InChIKeyHFRUKICDNRLGNG-QMMMGPOBSA-N
XLogP0.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol (CID 97169735) is [(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol is OC[C@H]1CCN(Cc2nccnc2Cl)C1.
What is the InChIKey of [(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is HFRUKICDNRLGNG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-10-9(12-2-3-13-10)6-14-4-1-8(5-14)7-15/h2-3,8,15H,1,4-7H2/t8-/m0/s1.
What are the key properties of [(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol?
[(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 227.69 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 97169735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).