6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid

C9H9N5O2 — CID 60792259

IUPAC6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid
SMILESCn1cc(Nc2ccc(C(=O)O)nn2)cn1
InChIInChI=1S/C9H9N5O2/c1-14-5-6(4-10-14)11-8-3-2-7(9(15)16)12-13-8/h2-5H,1H3,(H,11,13)(H,15,16)
InChIKeyDKJFWYPKLSDVSN-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.65
Rot. Bonds3

About 6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid

6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid (PubChem CID 60792259) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid
PubChem CID60792259
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid
SMILESCn1cc(Nc2ccc(C(=O)O)nn2)cn1
InChIInChI=1S/C9H9N5O2/c1-14-5-6(4-10-14)11-8-3-2-7(9(15)16)12-13-8/h2-5H,1H3,(H,11,13)(H,15,16)
InChIKeyDKJFWYPKLSDVSN-UHFFFAOYSA-N
XLogP0.65
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid (CID 60792259) is 6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid is Cn1cc(Nc2ccc(C(=O)O)nn2)cn1.
What is the InChIKey of 6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid?
The InChIKey is DKJFWYPKLSDVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-14-5-6(4-10-14)11-8-3-2-7(9(15)16)12-13-8/h2-5H,1H3,(H,11,13)(H,15,16).
What are the key properties of 6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid?
6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 60792259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).