3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride

C12H16ClN5 — CID 71643981

IUPAC3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride
SMILESCl.Nc1nc2ccccc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C12H15N5.ClH/c13-8-5-6-17(7-8)12-11(14)15-9-3-1-2-4-10(9)16-12;/h1-4,8H,5-7,13H2,(H2,14,15);1H/t8-;/m0./s1
InChIKeyIICYIDPTVKOYFH-QRPNPIFTSA-N
MW265.75 g/mol
LogP1.17
Rot. Bonds1

About 3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride

3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride (PubChem CID 71643981) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride
PubChem CID71643981
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride
SMILESCl.Nc1nc2ccccc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C12H15N5.ClH/c13-8-5-6-17(7-8)12-11(14)15-9-3-1-2-4-10(9)16-12;/h1-4,8H,5-7,13H2,(H2,14,15);1H/t8-;/m0./s1
InChIKeyIICYIDPTVKOYFH-QRPNPIFTSA-N
XLogP1.17
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
CID 97165327
(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
CID 71643980
3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride
CID 71642532
(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71643054
3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine
CID 97165472
3-(4-propylpiperidin-1-yl)quinoxalin-2-amine
CID 102986310
1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine
CID 103204643
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
3-(4-cyclopropylpiperazin-1-yl)quinoxalin-2-amine
CID 102986229
(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine
CID 86318100
3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine
CID 103541708
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine
CID 102987519

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride?
The IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride (CID 71643981) is 3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride.
What is the SMILES notation for 3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride?
The canonical SMILES for 3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride is Cl.Nc1nc2ccccc2nc1N1CC[C@H](N)C1.
What is the InChIKey of 3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride?
The InChIKey is IICYIDPTVKOYFH-QRPNPIFTSA-N. The full InChI is InChI=1S/C12H15N5.ClH/c13-8-5-6-17(7-8)12-11(14)15-9-3-1-2-4-10(9)16-12;/h1-4,8H,5-7,13H2,(H2,14,15);1H/t8-;/m0./s1.
What are the key properties of 3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride?
3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride has a molecular weight of 265.75 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride is sourced from PubChem (CID 71643981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).