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

C13H14Cl2N4O — CID 169197222

IUPAC2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone
SMILESC[C@H]1c2c3ccc(Cl)c(Cl)c3nn2CCN1C(=O)CN
InChIInChI=1S/C13H14Cl2N4O/c1-7-13-8-2-3-9(14)11(15)12(8)17-19(13)5-4-18(7)10(20)6-16/h2-3,7H,4-6,16H2,1H3/t7-/m0/s1
InChIKeyAPMHAIONFRMLEY-ZETCQYMHSA-N
MW313.19 g/mol
LogP2.20
Rot. Bonds1

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

2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone (PubChem CID 169197222) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone
PubChem CID169197222
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone
SMILESC[C@H]1c2c3ccc(Cl)c(Cl)c3nn2CCN1C(=O)CN
InChIInChI=1S/C13H14Cl2N4O/c1-7-13-8-2-3-9(14)11(15)12(8)17-19(13)5-4-18(7)10(20)6-16/h2-3,7H,4-6,16H2,1H3/t7-/m0/s1
InChIKeyAPMHAIONFRMLEY-ZETCQYMHSA-N
XLogP2.20
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone?
The IUPAC name of 2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone (CID 169197222) is 2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone?
The canonical SMILES for 2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone is C[C@H]1c2c3ccc(Cl)c(Cl)c3nn2CCN1C(=O)CN.
What is the InChIKey of 2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone?
The InChIKey is APMHAIONFRMLEY-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-7-13-8-2-3-9(14)11(15)12(8)17-19(13)5-4-18(7)10(20)6-16/h2-3,7H,4-6,16H2,1H3/t7-/m0/s1.
What are the key properties of 2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone?
2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone has a molecular weight of 313.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(1S)-7,8-dichloro-1-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]ethanone is sourced from PubChem (CID 169197222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).