3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine

C13H17N5 — CID 97165181

IUPAC3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NC[C@@H]1CCCN1
InChIInChI=1S/C13H17N5/c14-12-13(16-8-9-4-3-7-15-9)18-11-6-2-1-5-10(11)17-12/h1-2,5-6,9,15H,3-4,7-8H2,(H2,14,17)(H,16,18)/t9-/m0/s1
InChIKeyMQVADHGYJIBUCO-VIFPVBQESA-N
MW243.31 g/mol
LogP1.38
Rot. Bonds3

About 3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine

3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine (PubChem CID 97165181) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
PubChem CID97165181
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NC[C@@H]1CCCN1
InChIInChI=1S/C13H17N5/c14-12-13(16-8-9-4-3-7-15-9)18-11-6-2-1-5-10(11)17-12/h1-2,5-6,9,15H,3-4,7-8H2,(H2,14,17)(H,16,18)/t9-/m0/s1
InChIKeyMQVADHGYJIBUCO-VIFPVBQESA-N
XLogP1.38
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165179
3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164043
2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97164706
3-chloro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71640743
3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97164042
2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
CID 102984509
3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine
CID 102984663
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
CID 102983881
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-benzothiazol-3-amine
CID 97178372
N-methyl-3-[[(2R)-pyrrolidin-2-yl]methoxy]quinoxalin-2-amine
CID 97164715
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788

Frequently Asked Questions

What is the IUPAC name of 3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine (CID 97165181) is 3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1NC[C@@H]1CCCN1.
What is the InChIKey of 3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine?
The InChIKey is MQVADHGYJIBUCO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N5/c14-12-13(16-8-9-4-3-7-15-9)18-11-6-2-1-5-10(11)17-12/h1-2,5-6,9,15H,3-4,7-8H2,(H2,14,17)(H,16,18)/t9-/m0/s1.
What are the key properties of 3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine?
3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine has a molecular weight of 243.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 97165181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).