2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione

C10H17N3O3 — CID 43165957

IUPAC2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione
SMILESCCCNCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O3/c1-2-5-11-6-8(14)7-13-10(16)4-3-9(15)12-13/h3-4,8,11,14H,2,5-7H2,1H3,(H,12,15)
InChIKeyWZSRMAAYKAZTIL-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.10
Rot. Bonds6

About 2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione

2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione (PubChem CID 43165957) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione
PubChem CID43165957
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione
SMILESCCCNCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O3/c1-2-5-11-6-8(14)7-13-10(16)4-3-9(15)12-13/h3-4,8,11,14H,2,5-7H2,1H3,(H,12,15)
InChIKeyWZSRMAAYKAZTIL-UHFFFAOYSA-N
XLogP-1.10
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Hydroxy-2-(2-hydroxyethyl)-2,3-dihydropyridazin-3-one
CID 228461
1-(3-Fluoro-2-hydroxypropyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 165595566
(E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide
CID 19962226
N,N'-bis(2-hydroxypropyl)but-2-enediamide
CID 54217503
[3-(But-2-enoylamino)-2-hydroxypropyl]-trimethylazanium
CID 57067152
N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide
CID 87130081
(E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide
CID 90245570
2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione
CID 16793144
2-[(2R)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 30122873
2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 30122875
2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 43165955
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione
CID 43165956

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione (CID 43165957) is 2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione is CCCNCC(O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione?
The InChIKey is WZSRMAAYKAZTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-2-5-11-6-8(14)7-13-10(16)4-3-9(15)12-13/h3-4,8,11,14H,2,5-7H2,1H3,(H,12,15).
What are the key properties of 2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione?
2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione has a molecular weight of 227.26 g/mol, XLogP of -1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43165957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).