ethane;quinoxalin-6-amine

C10H13N3 — CID 143926479

IUPACethane;quinoxalin-6-amine
SMILESCC.Nc1ccc2nccnc2c1
InChIInChI=1S/C8H7N3.C2H6/c9-6-1-2-7-8(5-6)11-4-3-10-7;1-2/h1-5H,9H2;1-2H3
InChIKeyJZKMXECVFWXNDO-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.24
Rot. Bonds

About ethane;quinoxalin-6-amine

ethane;quinoxalin-6-amine (PubChem CID 143926479) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethane;quinoxalin-6-amine.

Molecular Properties

Compound Nameethane;quinoxalin-6-amine
PubChem CID143926479
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Nameethane;quinoxalin-6-amine
SMILESCC.Nc1ccc2nccnc2c1
InChIInChI=1S/C8H7N3.C2H6/c9-6-1-2-7-8(5-6)11-4-3-10-7;1-2/h1-5H,9H2;1-2H3
InChIKeyJZKMXECVFWXNDO-UHFFFAOYSA-N
XLogP2.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,2,4-benzotriazin-6-amine;ethane
CID 145271265
4-quinoxalin-6-ylpyridin-2-amine
CID 46196144
ethane;6-methylsulfonylquinoxaline
CID 156875754
aniline;quinoxaline
CID 70629272
phenazine-2,3,7-triamine
CID 13244876
ethane;2-methylindazol-6-amine
CID 178017314
ethane;6-nitroquinoxaline
CID 143926485
1-quinoxalin-6-ylpropan-2-amine
CID 55253948
tris(pyrazino[2,3-f]quinoxaline);ruthenium
CID 57355129
3,4-bis(ethenyl)aniline;ethane
CID 142131680
4-[2-(diethylamino)ethoxy]quinolin-7-amine
CID 103002290
benzo[b][1,7]phenanthrolin-10-amine
CID 10332108

Frequently Asked Questions

What is the IUPAC name of ethane;quinoxalin-6-amine?
The IUPAC name of ethane;quinoxalin-6-amine (CID 143926479) is ethane;quinoxalin-6-amine.
What is the SMILES notation for ethane;quinoxalin-6-amine?
The canonical SMILES for ethane;quinoxalin-6-amine is CC.Nc1ccc2nccnc2c1.
What is the InChIKey of ethane;quinoxalin-6-amine?
The InChIKey is JZKMXECVFWXNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.C2H6/c9-6-1-2-7-8(5-6)11-4-3-10-7;1-2/h1-5H,9H2;1-2H3.
What are the key properties of ethane;quinoxalin-6-amine?
ethane;quinoxalin-6-amine has a molecular weight of 175.23 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;quinoxalin-6-amine is sourced from PubChem (CID 143926479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).