3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid

C11H17N3O2 — CID 80517927

IUPAC3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid
SMILESCCC(C)C(C)Nc1nnccc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-7(2)8(3)13-10-9(11(15)16)5-6-12-14-10/h5-8H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyBKXUVWSOYRSVAJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.02
Rot. Bonds5

About 3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid

3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid (PubChem CID 80517927) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid
PubChem CID80517927
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid
SMILESCCC(C)C(C)Nc1nnccc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-7(2)8(3)13-10-9(11(15)16)5-6-12-14-10/h5-8H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyBKXUVWSOYRSVAJ-UHFFFAOYSA-N
XLogP2.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid (CID 80517927) is 3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid is CCC(C)C(C)Nc1nnccc1C(=O)O.
What is the InChIKey of 3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid?
The InChIKey is BKXUVWSOYRSVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-7(2)8(3)13-10-9(11(15)16)5-6-12-14-10/h5-8H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid?
3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).