5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid

C12H14N4O3 — CID 106377656

IUPAC5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid
SMILESCc1cnc(CNc2nnc(C)c(C)c2C(=O)O)o1
InChIInChI=1S/C12H14N4O3/c1-6-4-13-9(19-6)5-14-11-10(12(17)18)7(2)8(3)15-16-11/h4H,5H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyDSLNYZVDJSGWOG-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.70
Rot. Bonds4

About 5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid

5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid (PubChem CID 106377656) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid
PubChem CID106377656
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid
SMILESCc1cnc(CNc2nnc(C)c(C)c2C(=O)O)o1
InChIInChI=1S/C12H14N4O3/c1-6-4-13-9(19-6)5-14-11-10(12(17)18)7(2)8(3)15-16-11/h4H,5H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyDSLNYZVDJSGWOG-UHFFFAOYSA-N
XLogP1.70
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 106377678
4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106377654
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106373085
5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid
CID 62709618
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 106373101
5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
CID 63245456
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106373032
6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106375469
4-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-5-nitrobenzoic acid
CID 106373099
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106423241

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid (CID 106377656) is 5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid is Cc1cnc(CNc2nnc(C)c(C)c2C(=O)O)o1.
What is the InChIKey of 5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid?
The InChIKey is DSLNYZVDJSGWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-6-4-13-9(19-6)5-14-11-10(12(17)18)7(2)8(3)15-16-11/h4H,5H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid?
5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 106377656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).