2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione

C7H11N3O3 — CID 30122875

IUPAC2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione
SMILESNC[C@H](O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H11N3O3/c8-3-5(11)4-10-7(13)2-1-6(12)9-10/h1-2,5,11H,3-4,8H2,(H,9,12)/t5-/m0/s1
InChIKeySXEPLJILOKLABB-YFKPBYRVSA-N
MW185.18 g/mol
LogP-2.14
Rot. Bonds3

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

2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione (PubChem CID 30122875) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione
PubChem CID30122875
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione
SMILESNC[C@H](O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H11N3O3/c8-3-5(11)4-10-7(13)2-1-6(12)9-10/h1-2,5,11H,3-4,8H2,(H,9,12)/t5-/m0/s1
InChIKeySXEPLJILOKLABB-YFKPBYRVSA-N
XLogP-2.14
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione (CID 30122875) is 2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione is NC[C@H](O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
The InChIKey is SXEPLJILOKLABB-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-3-5(11)4-10-7(13)2-1-6(12)9-10/h1-2,5,11H,3-4,8H2,(H,9,12)/t5-/m0/s1.
What are the key properties of 2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione has a molecular weight of 185.18 g/mol, XLogP of -2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 30122875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).