5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

C14H22N4O3 — CID 72903764

IUPAC5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCOC[C@@H]1CCCN1C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H22N4O3/c1-16(2)12-7-13(19)18(15-8-12)9-14(20)17-6-4-5-11(17)10-21-3/h7-8,11H,4-6,9-10H2,1-3H3/t11-/m0/s1
InChIKeyZVPYPMITFWCOEI-NSHDSACASA-N
MW294.35 g/mol
LogP-0.05
Rot. Bonds5

About 5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 72903764) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID72903764
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCOC[C@@H]1CCCN1C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H22N4O3/c1-16(2)12-7-13(19)18(15-8-12)9-14(20)17-6-4-5-11(17)10-21-3/h7-8,11H,4-6,9-10H2,1-3H3/t11-/m0/s1
InChIKeyZVPYPMITFWCOEI-NSHDSACASA-N
XLogP-0.05
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 72903764) is 5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is COC[C@@H]1CCCN1C(=O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is ZVPYPMITFWCOEI-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3/c1-16(2)12-7-13(19)18(15-8-12)9-14(20)17-6-4-5-11(17)10-21-3/h7-8,11H,4-6,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 294.35 g/mol, XLogP of -0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 72903764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).