2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione

C13H22N4O3 — CID 56721913

IUPAC2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCC(CN1CCOCC1)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H22N4O3/c1-11(10-16-6-8-20-9-7-16)14-4-5-17-13(19)3-2-12(18)15-17/h2-3,11,14H,4-10H2,1H3,(H,15,18)
InChIKeyNEYGNYFCOYILRQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP-1.15
Rot. Bonds6

About 2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione

2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 56721913) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
PubChem CID56721913
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCC(CN1CCOCC1)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H22N4O3/c1-11(10-16-6-8-20-9-7-16)14-4-5-17-13(19)3-2-12(18)15-17/h2-3,11,14H,4-10H2,1H3,(H,15,18)
InChIKeyNEYGNYFCOYILRQ-UHFFFAOYSA-N
XLogP-1.15
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 44549911
1-{2-[(2-Methoxy-1-methylethyl)amino]ethyl}-1,2-dihydropyridazine-3,6-dione
CID 50961301
2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]propanamide
CID 56876224
N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 53787036
N-(1-morpholin-4-ylpropan-2-yl)prop-2-enamide
CID 43696901
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methyl-2-morpholin-4-ylbutyl)acetamide
CID 45819350
2-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 53525995
2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 71899325
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 71941541
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide
CID 94024578
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide
CID 94024580
2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione
CID 95126031

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione (CID 56721913) is 2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione is CC(CN1CCOCC1)NCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is NEYGNYFCOYILRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-11(10-16-6-8-20-9-7-16)14-4-5-17-13(19)3-2-12(18)15-17/h2-3,11,14H,4-10H2,1H3,(H,15,18).
What are the key properties of 2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 282.34 g/mol, XLogP of -1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 56721913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).