1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone

C13H13Cl2N3O2 — CID 169197006

IUPAC1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone
SMILESCC1c2c3ccc(Cl)c(Cl)c3nn2CCN1C(=O)CO
InChIInChI=1S/C13H13Cl2N3O2/c1-7-13-8-2-3-9(14)11(15)12(8)16-18(13)5-4-17(7)10(20)6-19/h2-3,7,19H,4-6H2,1H3
InChIKeyTWOXJOKQZBXDKW-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.24
Rot. Bonds1

About 1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone

1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone (PubChem CID 169197006) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone
PubChem CID169197006
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone
SMILESCC1c2c3ccc(Cl)c(Cl)c3nn2CCN1C(=O)CO
InChIInChI=1S/C13H13Cl2N3O2/c1-7-13-8-2-3-9(14)11(15)12(8)16-18(13)5-4-17(7)10(20)6-19/h2-3,7,19H,4-6H2,1H3
InChIKeyTWOXJOKQZBXDKW-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone?
The IUPAC name of 1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone (CID 169197006) is 1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone is CC1c2c3ccc(Cl)c(Cl)c3nn2CCN1C(=O)CO.
What is the InChIKey of 1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone?
The InChIKey is TWOXJOKQZBXDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-7-13-8-2-3-9(14)11(15)12(8)16-18(13)5-4-17(7)10(20)6-19/h2-3,7,19H,4-6H2,1H3.
What are the key properties of 1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone?
1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone has a molecular weight of 314.17 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl)-2-hydroxyethanone is sourced from PubChem (CID 169197006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).