[(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine

C10H15ClN4 — CID 97165661

IUPAC[(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESNC[C@H]1CCN(Cc2nccnc2Cl)C1
InChIInChI=1S/C10H15ClN4/c11-10-9(13-2-3-14-10)7-15-4-1-8(5-12)6-15/h2-3,8H,1,4-7,12H2/t8-/m1/s1
InChIKeyJGDKZACGOMABNL-MRVPVSSYSA-N
MW226.71 g/mol
LogP0.91
Rot. Bonds3

About [(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine

[(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 97165661) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is [(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID97165661
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name[(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESNC[C@H]1CCN(Cc2nccnc2Cl)C1
InChIInChI=1S/C10H15ClN4/c11-10-9(13-2-3-14-10)7-15-4-1-8(5-12)6-15/h2-3,8H,1,4-7,12H2/t8-/m1/s1
InChIKeyJGDKZACGOMABNL-MRVPVSSYSA-N
XLogP0.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine (CID 97165661) is [(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine is NC[C@H]1CCN(Cc2nccnc2Cl)C1.
What is the InChIKey of [(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is JGDKZACGOMABNL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15ClN4/c11-10-9(13-2-3-14-10)7-15-4-1-8(5-12)6-15/h2-3,8H,1,4-7,12H2/t8-/m1/s1.
What are the key properties of [(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
[(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 226.71 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 97165661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).