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

C13H16N4O3 — CID 106377678

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nc(CNc2nnc(C)c(C)c2C(=O)O)oc1C
InChIInChI=1S/C13H16N4O3/c1-6-7(2)16-17-12(11(6)13(18)19)14-5-10-15-8(3)9(4)20-10/h5H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyZBEHFNQLRYPFRZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.01
Rot. Bonds4

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

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 106377678) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID106377678
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nc(CNc2nnc(C)c(C)c2C(=O)O)oc1C
InChIInChI=1S/C13H16N4O3/c1-6-7(2)16-17-12(11(6)13(18)19)14-5-10-15-8(3)9(4)20-10/h5H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyZBEHFNQLRYPFRZ-UHFFFAOYSA-N
XLogP2.01
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid
CID 106377656
5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid
CID 62709618
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carboxylic acid
CID 62709795
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114180477
2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114181032
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-fluorobenzoic acid
CID 106377662
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114180485
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide
CID 114180640
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106373120
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbut-2-enoic acid
CID 106373693
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 106378873

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 106377678) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid is Cc1nc(CNc2nnc(C)c(C)c2C(=O)O)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is ZBEHFNQLRYPFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-6-7(2)16-17-12(11(6)13(18)19)14-5-10-15-8(3)9(4)20-10/h5H2,1-4H3,(H,14,17)(H,18,19).
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 106377678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).