3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid

C16H25N3O2 — CID 114541269

IUPAC3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(NC2CCC(C)(C)C2)c(C(=O)O)c1CC
InChIInChI=1S/C16H25N3O2/c1-5-11-12(6-2)18-19-14(13(11)15(20)21)17-10-7-8-16(3,4)9-10/h10H,5-9H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyJUOIQCMXTYPODK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.29
Rot. Bonds5

About 3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid

3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid (PubChem CID 114541269) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid
PubChem CID114541269
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(NC2CCC(C)(C)C2)c(C(=O)O)c1CC
InChIInChI=1S/C16H25N3O2/c1-5-11-12(6-2)18-19-14(13(11)15(20)21)17-10-7-8-16(3,4)9-10/h10H,5-9H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyJUOIQCMXTYPODK-UHFFFAOYSA-N
XLogP3.29
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid (CID 114541269) is 3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid is CCc1nnc(NC2CCC(C)(C)C2)c(C(=O)O)c1CC.
What is the InChIKey of 3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid?
The InChIKey is JUOIQCMXTYPODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-11-12(6-2)18-19-14(13(11)15(20)21)17-10-7-8-16(3,4)9-10/h10H,5-9H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid?
3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 114541269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).