2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione

C11H19N3O3 — CID 113317650

IUPAC2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
SMILESCC(C)(C)NCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H19N3O3/c1-11(2,3)12-6-8(15)7-14-10(17)5-4-9(16)13-14/h4-5,8,12,15H,6-7H2,1-3H3,(H,13,16)
InChIKeyMXOBPCXXOOUDFP-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.71
Rot. Bonds4

About 2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione

2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione (PubChem CID 113317650) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
PubChem CID113317650
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
SMILESCC(C)(C)NCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H19N3O3/c1-11(2,3)12-6-8(15)7-14-10(17)5-4-9(16)13-14/h4-5,8,12,15H,6-7H2,1-3H3,(H,13,16)
InChIKeyMXOBPCXXOOUDFP-UHFFFAOYSA-N
XLogP-0.71
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione (CID 113317650) is 2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione is CC(C)(C)NCC(O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
The InChIKey is MXOBPCXXOOUDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,3)12-6-8(15)7-14-10(17)5-4-9(16)13-14/h4-5,8,12,15H,6-7H2,1-3H3,(H,13,16).
What are the key properties of 2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione has a molecular weight of 241.29 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 113317650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).