(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

C10H16Cl2N4 — CID 71641771

IUPAC(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1nccnc1Cl)[C@H]1CCNC1.Cl
InChIInChI=1S/C10H15ClN4.ClH/c1-15(8-2-3-12-6-8)7-9-10(11)14-5-4-13-9;/h4-5,8,12H,2-3,6-7H2,1H3;1H/t8-;/m0./s1
InChIKeyCXBJLEXOLGKSIH-QRPNPIFTSA-N
MW263.17 g/mol
LogP1.35
Rot. Bonds3

About (3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 71641771) has the molecular formula C10H16Cl2N4 and a molecular weight of 263.17 g/mol. Its IUPAC name is (3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID71641771
Molecular FormulaC10H16Cl2N4
Molecular Weight263.17 g/mol
Exact Mass262.08
IUPAC Name(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1nccnc1Cl)[C@H]1CCNC1.Cl
InChIInChI=1S/C10H15ClN4.ClH/c1-15(8-2-3-12-6-8)7-9-10(11)14-5-4-13-9;/h4-5,8,12H,2-3,6-7H2,1H3;1H/t8-;/m0./s1
InChIKeyCXBJLEXOLGKSIH-QRPNPIFTSA-N
XLogP1.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641775
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71643380
N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164670
(3R)-N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71641701
(3S)-N-methyl-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71641762
N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride
CID 71641763
N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120839502
N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 131047945
N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 63301282
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine
CID 71641741
N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 63644109
(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641686

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 71641771) is (3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is CN(Cc1nccnc1Cl)[C@H]1CCNC1.Cl.
What is the InChIKey of (3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is CXBJLEXOLGKSIH-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H15ClN4.ClH/c1-15(8-2-3-12-6-8)7-9-10(11)14-5-4-13-9;/h4-5,8,12H,2-3,6-7H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71641771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).