2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione

C10H17N3O3 — CID 95126031

IUPAC2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione
SMILESCOC[C@H](C)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O3/c1-8(7-16-2)11-5-6-13-10(15)4-3-9(14)12-13/h3-4,8,11H,5-7H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyQDHOXSBVZIOZRC-QMMMGPOBSA-N
MW227.26 g/mol
LogP-0.84
Rot. Bonds6

About 2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione

2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione (PubChem CID 95126031) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione
PubChem CID95126031
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione
SMILESCOC[C@H](C)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O3/c1-8(7-16-2)11-5-6-13-10(15)4-3-9(14)12-13/h3-4,8,11H,5-7H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyQDHOXSBVZIOZRC-QMMMGPOBSA-N
XLogP-0.84
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione (CID 95126031) is 2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione is COC[C@H](C)NCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is QDHOXSBVZIOZRC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-8(7-16-2)11-5-6-13-10(15)4-3-9(14)12-13/h3-4,8,11H,5-7H2,1-2H3,(H,12,14)/t8-/m0/s1.
What are the key properties of 2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione?
2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 227.26 g/mol, XLogP of -0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 95126031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).