5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one

C18H29N5O3 — CID 91920250

IUPAC5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCCN1CCN(C(=O)C2CCN(c3cnn(CCOC)c(=O)c3)C2)CC1
InChIInChI=1S/C18H29N5O3/c1-3-20-6-8-21(9-7-20)18(25)15-4-5-22(14-15)16-12-17(24)23(19-13-16)10-11-26-2/h12-13,15H,3-11,14H2,1-2H3
InChIKeyBYDGMRUQXZXNFB-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.12
Rot. Bonds6

About 5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one

5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 91920250) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID91920250
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCCN1CCN(C(=O)C2CCN(c3cnn(CCOC)c(=O)c3)C2)CC1
InChIInChI=1S/C18H29N5O3/c1-3-20-6-8-21(9-7-20)18(25)15-4-5-22(14-15)16-12-17(24)23(19-13-16)10-11-26-2/h12-13,15H,3-11,14H2,1-2H3
InChIKeyBYDGMRUQXZXNFB-UHFFFAOYSA-N
XLogP-0.12
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one (CID 91920250) is 5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one is CCN1CCN(C(=O)C2CCN(c3cnn(CCOC)c(=O)c3)C2)CC1.
What is the InChIKey of 5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is BYDGMRUQXZXNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-3-20-6-8-21(9-7-20)18(25)15-4-5-22(14-15)16-12-17(24)23(19-13-16)10-11-26-2/h12-13,15H,3-11,14H2,1-2H3.
What are the key properties of 5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one?
5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 363.46 g/mol, XLogP of -0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 91920250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).