3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid

C11H13N5O2 — CID 80686824

IUPAC3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESCn1cc(CCNc2nnccc2C(=O)O)cn1
InChIInChI=1S/C11H13N5O2/c1-16-7-8(6-14-16)2-4-12-10-9(11(17)18)3-5-13-15-10/h3,5-7H,2,4H2,1H3,(H,12,15)(H,17,18)
InChIKeyDHPNYAWRNXWETC-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.56
Rot. Bonds5

About 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid

3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid (PubChem CID 80686824) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid
PubChem CID80686824
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESCn1cc(CCNc2nnccc2C(=O)O)cn1
InChIInChI=1S/C11H13N5O2/c1-16-7-8(6-14-16)2-4-12-10-9(11(17)18)3-5-13-15-10/h3,5-7H,2,4H2,1H3,(H,12,15)(H,17,18)
InChIKeyDHPNYAWRNXWETC-UHFFFAOYSA-N
XLogP0.56
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-difluoro-4-[2-(1-methylpyrazol-4-yl)ethylamino]benzoic acid
CID 80688629
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzoic acid
CID 112579297
1-methyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrazole-4-carboxylic acid
CID 116631405
3-(hexylamino)pyridazine-4-carboxylic acid
CID 80516727
3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 114186957
N-ethyl-6-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-3-carboxamide
CID 80688877
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
CID 80517538
3-(3-methylsulfanylpropylamino)pyridazine-4-carboxylic acid
CID 80516931
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 112579298
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 80691532

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid (CID 80686824) is 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid is Cn1cc(CCNc2nnccc2C(=O)O)cn1.
What is the InChIKey of 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid?
The InChIKey is DHPNYAWRNXWETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-16-7-8(6-14-16)2-4-12-10-9(11(17)18)3-5-13-15-10/h3,5-7H,2,4H2,1H3,(H,12,15)(H,17,18).
What are the key properties of 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid?
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80686824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).