3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

C13H19N3O3 — CID 114118371

IUPAC3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCOC1CCC(Nc2nnc(C)c(C)c2C(=O)O)C1
InChIInChI=1S/C13H19N3O3/c1-7-8(2)15-16-12(11(7)13(17)18)14-9-4-5-10(6-9)19-3/h9-10H,4-6H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyAPWOWWALRNLVNO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.77
Rot. Bonds4

About 3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 114118371) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID114118371
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCOC1CCC(Nc2nnc(C)c(C)c2C(=O)O)C1
InChIInChI=1S/C13H19N3O3/c1-7-8(2)15-16-12(11(7)13(17)18)14-9-4-5-10(6-9)19-3/h9-10H,4-6H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyAPWOWWALRNLVNO-UHFFFAOYSA-N
XLogP1.77
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 114118371) is 3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is COC1CCC(Nc2nnc(C)c(C)c2C(=O)O)C1.
What is the InChIKey of 3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is APWOWWALRNLVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7-8(2)15-16-12(11(7)13(17)18)14-9-4-5-10(6-9)19-3/h9-10H,4-6H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 114118371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).