6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

C16H24N4O3 — CID 126913559

IUPAC6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(C(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C16H24N4O3/c1-13-4-5-15(21)20(17-13)11-8-18-6-9-19(10-7-18)16(22)14-3-2-12-23-14/h4-5,14H,2-3,6-12H2,1H3
InChIKeySGJAYMZZGHXRHA-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.13
Rot. Bonds4

About 6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913559) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913559
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(C(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C16H24N4O3/c1-13-4-5-15(21)20(17-13)11-8-18-6-9-19(10-7-18)16(22)14-3-2-12-23-14/h4-5,14H,2-3,6-12H2,1H3
InChIKeySGJAYMZZGHXRHA-UHFFFAOYSA-N
XLogP-0.13
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915203
2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56808191
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one
CID 66474746
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913810
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 66737977
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56778579
(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone
CID 124810653
N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 146091914

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913559) is 6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(C(=O)C3CCCO3)CC2)n1.
What is the InChIKey of 6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is SGJAYMZZGHXRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-13-4-5-15(21)20(17-13)11-8-18-6-9-19(10-7-18)16(22)14-3-2-12-23-14/h4-5,14H,2-3,6-12H2,1H3.
What are the key properties of 6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 320.39 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).