2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol

C10H12ClN5O — CID 123251767

IUPAC2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol
SMILESNNC(CO)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C10H12ClN5O/c11-9-10(15-8(5-17)16-12)14-7-4-2-1-3-6(7)13-9/h1-4,8,16-17H,5,12H2,(H,14,15)
InChIKeyRVNCKQJBWSVYOR-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.48
Rot. Bonds4

About 2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol

2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol (PubChem CID 123251767) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol.

Molecular Properties

Compound Name2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol
PubChem CID123251767
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol
SMILESNNC(CO)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C10H12ClN5O/c11-9-10(15-8(5-17)16-12)14-7-4-2-1-3-6(7)13-9/h1-4,8,16-17H,5,12H2,(H,14,15)
InChIKeyRVNCKQJBWSVYOR-UHFFFAOYSA-N
XLogP0.48
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol
CID 86645890
N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide
CID 114049005
2-(3-chloroquinoxalin-2-yl)ethanol
CID 166994534
2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide
CID 89193446
3-chloro-N-prop-2-enylquinoxalin-2-amine
CID 10775263
2-[(3-chloroquinoxalin-2-yl)amino]-4-ethylsulfanylbutanoic acid
CID 108777993
3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine
CID 23770473
N'-(3-chloroquinoxalin-2-yl)benzohydrazide
CID 15163975
2-amino-2-(2-chloroquinolin-3-yl)ethanol
CID 116985247
N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide
CID 114048982
ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate
CID 102990345
3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine
CID 47001610

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol?
The IUPAC name of 2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol (CID 123251767) is 2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol.
What is the SMILES notation for 2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol?
The canonical SMILES for 2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol is NNC(CO)Nc1nc2ccccc2nc1Cl.
What is the InChIKey of 2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol?
The InChIKey is RVNCKQJBWSVYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c11-9-10(15-8(5-17)16-12)14-7-4-2-1-3-6(7)13-9/h1-4,8,16-17H,5,12H2,(H,14,15).
What are the key properties of 2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol?
2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol has a molecular weight of 253.69 g/mol, XLogP of 0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol is sourced from PubChem (CID 123251767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).