1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone

C10H13N3O — CID 155673544

IUPAC1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone
SMILESCC(=O)c1nc2c(nc1N)CCCC2
InChIInChI=1S/C10H13N3O/c1-6(14)9-10(11)13-8-5-3-2-4-7(8)12-9/h2-5H2,1H3,(H2,11,13)
InChIKeyYDIQLVCKRJMNOX-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.14
Rot. Bonds1

About 1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone

1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone (PubChem CID 155673544) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone
PubChem CID155673544
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone
SMILESCC(=O)c1nc2c(nc1N)CCCC2
InChIInChI=1S/C10H13N3O/c1-6(14)9-10(11)13-8-5-3-2-4-7(8)12-9/h2-5H2,1H3,(H2,11,13)
InChIKeyYDIQLVCKRJMNOX-UHFFFAOYSA-N
XLogP1.14
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone
CID 105457569
3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid
CID 10330209
2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 5149881
2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
CID 82392376
(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone
CID 619716
2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 83568678
1-(2-amino-5,6,8,9-tetrahydrooxepino[4,5-b]pyridin-3-yl)ethanone
CID 105458713
1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
CID 105444993
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
1-(6-amino-2-chloro-5-fluoropyrimidin-4-yl)ethanone
CID 129216085
1-(2-amino-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
CID 105446020
1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone
CID 105446019

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone?
The IUPAC name of 1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone (CID 155673544) is 1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone is CC(=O)c1nc2c(nc1N)CCCC2.
What is the InChIKey of 1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone?
The InChIKey is YDIQLVCKRJMNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6(14)9-10(11)13-8-5-3-2-4-7(8)12-9/h2-5H2,1H3,(H2,11,13).
What are the key properties of 1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone?
1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone is sourced from PubChem (CID 155673544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).