3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid

C14H18N4O3 — CID 79232217

IUPAC3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(NC(C)c2c(C)noc2C)c(C(=O)O)c1C
InChIInChI=1S/C14H18N4O3/c1-6-7(2)16-17-13(11(6)14(19)20)15-8(3)12-9(4)18-21-10(12)5/h8H,1-5H3,(H,15,17)(H,19,20)
InChIKeyIXQXADVIWSPQRV-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.57
Rot. Bonds4

About 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid

3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 79232217) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID79232217
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(NC(C)c2c(C)noc2C)c(C(=O)O)c1C
InChIInChI=1S/C14H18N4O3/c1-6-7(2)16-17-13(11(6)14(19)20)15-8(3)12-9(4)18-21-10(12)5/h8H,1-5H3,(H,15,17)(H,19,20)
InChIKeyIXQXADVIWSPQRV-UHFFFAOYSA-N
XLogP2.57
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-(3-methylbutan-2-ylamino)pyridazine-4-carboxylic acid
CID 62710596
6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 79241848
3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62711194
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-fluorobenzoic acid
CID 79241609
5-acetyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 106697824
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133312098
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80847941
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 79002925

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 79232217) is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid is Cc1nnc(NC(C)c2c(C)noc2C)c(C(=O)O)c1C.
What is the InChIKey of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is IXQXADVIWSPQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-6-7(2)16-17-13(11(6)14(19)20)15-8(3)12-9(4)18-21-10(12)5/h8H,1-5H3,(H,15,17)(H,19,20).
What are the key properties of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 79232217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).