3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide

C11H13N5O2 — CID 106174445

IUPAC3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc2ccccc2nc1N
InChIInChI=1S/C11H13N5O2/c12-9-11(14-5-8(17)10(13)18)16-7-4-2-1-3-6(7)15-9/h1-4,8,17H,5H2,(H2,12,15)(H2,13,18)(H,14,16)
InChIKeyGOXRVJJXDFSCLE-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.53
Rot. Bonds4

About 3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide

3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide (PubChem CID 106174445) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide
PubChem CID106174445
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc2ccccc2nc1N
InChIInChI=1S/C11H13N5O2/c12-9-11(14-5-8(17)10(13)18)16-7-4-2-1-3-6(7)15-9/h1-4,8,17H,5H2,(H2,12,15)(H2,13,18)(H,14,16)
InChIKeyGOXRVJJXDFSCLE-UHFFFAOYSA-N
XLogP-0.53
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-aminoquinoxalin-2-yl)amino]butanamide
CID 102983771
3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114154625
5-[(3-aminoquinoxalin-2-yl)amino]pentanamide
CID 106241523
3-(cinnolin-4-ylamino)-2-hydroxypropanamide
CID 114153484
3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine
CID 102987287
3-[(3-ethoxy-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170981
3-[(3-bromo-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170853
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 102983851
2-[(3-aminoquinoxalin-2-yl)amino]ethanesulfonamide
CID 102983720
3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114152808
2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide
CID 102984187

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide (CID 106174445) is 3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1nc2ccccc2nc1N.
What is the InChIKey of 3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide?
The InChIKey is GOXRVJJXDFSCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-9-11(14-5-8(17)10(13)18)16-7-4-2-1-3-6(7)15-9/h1-4,8,17H,5H2,(H2,12,15)(H2,13,18)(H,14,16).
What are the key properties of 3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide?
3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide has a molecular weight of 247.26 g/mol, XLogP of -0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminoquinoxalin-2-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).