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

C11H17ClN4 — CID 97164670

IUPACN-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESCN(Cc1nccnc1Cl)C[C@H]1CCNC1
InChIInChI=1S/C11H17ClN4/c1-16(7-9-2-3-13-6-9)8-10-11(12)15-5-4-14-10/h4-5,9,13H,2-3,6-8H2,1H3/t9-/m0/s1
InChIKeyORABWIQFIDYWFL-VIFPVBQESA-N
MW240.74 g/mol
LogP1.17
Rot. Bonds4

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

N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine (PubChem CID 97164670) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
PubChem CID97164670
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC NameN-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESCN(Cc1nccnc1Cl)C[C@H]1CCNC1
InChIInChI=1S/C11H17ClN4/c1-16(7-9-2-3-13-6-9)8-10-11(12)15-5-4-14-10/h4-5,9,13H,2-3,6-8H2,1H3/t9-/m0/s1
InChIKeyORABWIQFIDYWFL-VIFPVBQESA-N
XLogP1.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 71642923
N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641775
(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641771
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164652
N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 97164667
N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642921
2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride
CID 171699876
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-piperidin-4-ylmethanamine
CID 112651005
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
N,3-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642284

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine?
The IUPAC name of N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine (CID 97164670) is N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine is CN(Cc1nccnc1Cl)C[C@H]1CCNC1.
What is the InChIKey of N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine?
The InChIKey is ORABWIQFIDYWFL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17ClN4/c1-16(7-9-2-3-13-6-9)8-10-11(12)15-5-4-14-10/h4-5,9,13H,2-3,6-8H2,1H3/t9-/m0/s1.
What are the key properties of N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine?
N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine has a molecular weight of 240.74 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 97164670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).