3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid

C10H11N5O3 — CID 114186957

IUPAC3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESCc1nc(CCNc2nnccc2C(=O)O)no1
InChIInChI=1S/C10H11N5O3/c1-6-13-8(15-18-6)3-4-11-9-7(10(16)17)2-5-12-14-9/h2,5H,3-4H2,1H3,(H,11,14)(H,16,17)
InChIKeyNTVQSJVGCAKDNQ-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.52
Rot. Bonds5

About 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid

3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid (PubChem CID 114186957) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
PubChem CID114186957
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESCc1nc(CCNc2nnccc2C(=O)O)no1
InChIInChI=1S/C10H11N5O3/c1-6-13-8(15-18-6)3-4-11-9-7(10(16)17)2-5-12-14-9/h2,5H,3-4H2,1H3,(H,11,14)(H,16,17)
InChIKeyNTVQSJVGCAKDNQ-UHFFFAOYSA-N
XLogP0.52
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106422564
5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106423241
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 106422577
ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate
CID 106422570
3-(decylamino)pyridazine-4-carboxylic acid
CID 80517368
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid
CID 80686824
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
CID 80517538
3-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114186370
5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186371
2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 114186360
3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid
CID 80516830

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid (CID 114186957) is 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid is Cc1nc(CCNc2nnccc2C(=O)O)no1.
What is the InChIKey of 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid?
The InChIKey is NTVQSJVGCAKDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-6-13-8(15-18-6)3-4-11-9-7(10(16)17)2-5-12-14-9/h2,5H,3-4H2,1H3,(H,11,14)(H,16,17).
What are the key properties of 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid?
3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 114186957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).