2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one

C14H22N4O2 — CID 103073097

IUPAC2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-11(7-15)9-18-13(19)6-12(8-16-18)17-4-5-20-14(2,3)10-17/h6,8H,1,4-5,7,9-10,15H2,2-3H3
InChIKeyPAXUTVRPOQVTSP-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.37
Rot. Bonds4

About 2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one

2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (PubChem CID 103073097) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
PubChem CID103073097
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-11(7-15)9-18-13(19)6-12(8-16-18)17-4-5-20-14(2,3)10-17/h6,8H,1,4-5,7,9-10,15H2,2-3H3
InChIKeyPAXUTVRPOQVTSP-UHFFFAOYSA-N
XLogP0.37
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 114393782
2-(2-cyclopropyl-2-oxoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 114396293
3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394127
3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]-2-methylpropanethioamide
CID 114395846
5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399199
(E)-4-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]but-2-enoic acid
CID 114394128
2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 107506459
2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide
CID 114398639
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
4-(6-chloropyridazin-4-yl)-2,2-dimethylmorpholine
CID 114478121
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
2-(3,3-dimethyl-2-oxobutyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396109

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (CID 103073097) is 2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is C=C(CN)Cn1ncc(N2CCOC(C)(C)C2)cc1=O.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The InChIKey is PAXUTVRPOQVTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(7-15)9-18-13(19)6-12(8-16-18)17-4-5-20-14(2,3)10-17/h6,8H,1,4-5,7,9-10,15H2,2-3H3.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is sourced from PubChem (CID 103073097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).