6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid

C8H11N3O3 — CID 117102906

IUPAC6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)c(OC)nn1
InChIInChI=1S/C8H11N3O3/c1-3-9-6-4-5(8(12)13)7(14-2)11-10-6/h4H,3H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyRKDAFAPJHXOPEG-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.62
Rot. Bonds4

About 6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid

6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid (PubChem CID 117102906) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid
PubChem CID117102906
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)c(OC)nn1
InChIInChI=1S/C8H11N3O3/c1-3-9-6-4-5(8(12)13)7(14-2)11-10-6/h4H,3H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyRKDAFAPJHXOPEG-UHFFFAOYSA-N
XLogP0.62
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-6-(4-methylanilino)pyridazine-4-carboxylic acid
CID 117102953
6-(4-bromoanilino)-3-methoxypyridazine-4-carboxylic acid
CID 117102947
6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid
CID 117102945
3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid
CID 117102977
3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 117127039
3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid
CID 117127052
ethane;2-(ethylamino)-4,5-dimethoxybenzoic acid
CID 142222360
6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid
CID 89421780
6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid
CID 117127047
3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid
CID 117102938
4-(ethylamino)-3,5-dimethoxybenzoic acid
CID 21280955
6-bromo-8-ethyl-2-methoxyquinoline-3-carboxylic acid
CID 165460384

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid?
The IUPAC name of 6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid (CID 117102906) is 6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid?
The canonical SMILES for 6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid is CCNc1cc(C(=O)O)c(OC)nn1.
What is the InChIKey of 6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid?
The InChIKey is RKDAFAPJHXOPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-9-6-4-5(8(12)13)7(14-2)11-10-6/h4H,3H2,1-2H3,(H,9,10)(H,12,13).
What are the key properties of 6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid?
6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid is sourced from PubChem (CID 117102906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).