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

C11H18N4O — CID 97164834

IUPAC[(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCOc1nccnc1CN1CC[C@@H](CN)C1
InChIInChI=1S/C11H18N4O/c1-16-11-10(13-3-4-14-11)8-15-5-2-9(6-12)7-15/h3-4,9H,2,5-8,12H2,1H3/t9-/m0/s1
InChIKeyQQPCQWCMXPWYCP-VIFPVBQESA-N
MW222.29 g/mol
LogP0.27
Rot. Bonds4

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

[(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 97164834) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID97164834
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCOc1nccnc1CN1CC[C@@H](CN)C1
InChIInChI=1S/C11H18N4O/c1-16-11-10(13-3-4-14-11)8-15-5-2-9(6-12)7-15/h3-4,9H,2,5-8,12H2,1H3/t9-/m0/s1
InChIKeyQQPCQWCMXPWYCP-VIFPVBQESA-N
XLogP0.27
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine (CID 97164834) is [(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine is COc1nccnc1CN1CC[C@@H](CN)C1.
What is the InChIKey of [(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is QQPCQWCMXPWYCP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-11-10(13-3-4-14-11)8-15-5-2-9(6-12)7-15/h3-4,9H,2,5-8,12H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine?
[(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 97164834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).