3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid

C11H10N4O2 — CID 80517663

IUPAC3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCc1ccncc1
InChIInChI=1S/C11H10N4O2/c16-11(17)9-3-6-14-15-10(9)13-7-8-1-4-12-5-2-8/h1-6H,7H2,(H,13,15)(H,16,17)
InChIKeyQPSHFLBFRNKVPO-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.18
Rot. Bonds4

About 3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid

3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid (PubChem CID 80517663) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid
PubChem CID80517663
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCc1ccncc1
InChIInChI=1S/C11H10N4O2/c16-11(17)9-3-6-14-15-10(9)13-7-8-1-4-12-5-2-8/h1-6H,7H2,(H,13,15)(H,16,17)
InChIKeyQPSHFLBFRNKVPO-UHFFFAOYSA-N
XLogP1.18
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluoro-3,5-dimethylphenyl)methylamino]pyridazine-4-carboxylic acid
CID 80517089
3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517907
3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80516563
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid
CID 81435692
3-(hexylamino)pyridazine-4-carboxylic acid
CID 80516727
2-chloro-4-(pyridin-4-ylmethylamino)benzoic acid
CID 17058958
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
CID 80517538
4-[[(4-cyanopyridazin-3-yl)amino]methyl]benzoic acid
CID 80507966
3-(3-methylsulfanylpropylamino)pyridazine-4-carboxylic acid
CID 80516931

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid (CID 80517663) is 3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1NCc1ccncc1.
What is the InChIKey of 3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid?
The InChIKey is QPSHFLBFRNKVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-11(17)9-3-6-14-15-10(9)13-7-8-1-4-12-5-2-8/h1-6H,7H2,(H,13,15)(H,16,17).
What are the key properties of 3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid?
3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid has a molecular weight of 230.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).