5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid

C15H23N3O3 — CID 106137556

IUPAC5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid
SMILESCCc1nnc(NCC2CCC(O)C2)c(C(=O)O)c1CC
InChIInChI=1S/C15H23N3O3/c1-3-11-12(4-2)17-18-14(13(11)15(20)21)16-8-9-5-6-10(19)7-9/h9-10,19H,3-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyUPRMCLYSMNFNRK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.87
Rot. Bonds6

About 5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid

5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid (PubChem CID 106137556) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid
PubChem CID106137556
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid
SMILESCCc1nnc(NCC2CCC(O)C2)c(C(=O)O)c1CC
InChIInChI=1S/C15H23N3O3/c1-3-11-12(4-2)17-18-14(13(11)15(20)21)16-8-9-5-6-10(19)7-9/h9-10,19H,3-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyUPRMCLYSMNFNRK-UHFFFAOYSA-N
XLogP1.87
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid (CID 106137556) is 5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid is CCc1nnc(NCC2CCC(O)C2)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid?
The InChIKey is UPRMCLYSMNFNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-11-12(4-2)17-18-14(13(11)15(20)21)16-8-9-5-6-10(19)7-9/h9-10,19H,3-8H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid?
5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 106137556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).