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

C10H15ClN4 — CID 71644949

IUPAC[1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(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
InChIKeyJGDKZACGOMABNL-UHFFFAOYSA-N
MW226.71 g/mol
LogP0.91
Rot. Bonds3

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

[1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 71644949) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is [1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID71644949
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name[1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(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
InChIKeyJGDKZACGOMABNL-UHFFFAOYSA-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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Related Compounds

[(3R)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 97165661
[(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 97169735
[(3S)-1-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 97165030
[(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 97164834
[1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 71642940
1-[(3-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 71649793
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151
[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154906521
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
2-chloro-3-(piperazin-1-ylmethyl)pyrazine
CID 71640616
[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062000

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine (CID 71644949) is [1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine is NCC1CCN(Cc2nccnc2Cl)C1.
What is the InChIKey of [1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is JGDKZACGOMABNL-UHFFFAOYSA-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.
What are the key properties of [1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
[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 [1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 71644949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).