2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one

C14H22N4O2 — CID 114397506

IUPAC2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CCNCC1CC1
InChIInChI=1S/C14H22N4O2/c19-14-9-13(17-5-7-20-8-6-17)11-16-18(14)4-3-15-10-12-1-2-12/h9,11-12,15H,1-8,10H2
InChIKeyBKSJWPQBWMRJMV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.08
Rot. Bonds6

About 2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one

2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114397506) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID114397506
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CCNCC1CC1
InChIInChI=1S/C14H22N4O2/c19-14-9-13(17-5-7-20-8-6-17)11-16-18(14)4-3-15-10-12-1-2-12/h9,11-12,15H,1-8,10H2
InChIKeyBKSJWPQBWMRJMV-UHFFFAOYSA-N
XLogP0.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397411
5-morpholin-4-yl-2-(2-piperidin-4-ylethyl)pyridazin-3-one
CID 105061198
5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394656
2-[2-(azetidin-3-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 107391429
2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
5-morpholin-4-yl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 114395885
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
CID 114397515
5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
CID 114398871
2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397080

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one (CID 114397506) is 2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one is O=c1cc(N2CCOCC2)cnn1CCNCC1CC1.
What is the InChIKey of 2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is BKSJWPQBWMRJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14-9-13(17-5-7-20-8-6-17)11-16-18(14)4-3-15-10-12-1-2-12/h9,11-12,15H,1-8,10H2.
What are the key properties of 2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one?
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114397506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).