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

C11H13N5O2 — CID 106374178

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide
SMILESCc1nc(CNc2ccc(C(N)=O)nn2)oc1C
InChIInChI=1S/C11H13N5O2/c1-6-7(2)18-10(14-6)5-13-9-4-3-8(11(12)17)15-16-9/h3-4H,5H2,1-2H3,(H2,12,17)(H,13,16)
InChIKeyITVZWGNJLWDOPW-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.79
Rot. Bonds4

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

6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide (PubChem CID 106374178) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide
PubChem CID106374178
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide
SMILESCc1nc(CNc2ccc(C(N)=O)nn2)oc1C
InChIInChI=1S/C11H13N5O2/c1-6-7(2)18-10(14-6)5-13-9-4-3-8(11(12)17)15-16-9/h3-4H,5H2,1-2H3,(H2,12,17)(H,13,16)
InChIKeyITVZWGNJLWDOPW-UHFFFAOYSA-N
XLogP0.79
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 106377368
5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxamide
CID 106376450
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
methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
CID 106376422
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114180477
5-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 106372341
methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate
CID 106376452
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 106379036
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 106374176
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylpyrazol-3-amine
CID 79778271

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide (CID 106374178) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide is Cc1nc(CNc2ccc(C(N)=O)nn2)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide?
The InChIKey is ITVZWGNJLWDOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-7(2)18-10(14-6)5-13-9-4-3-8(11(12)17)15-16-9/h3-4H,5H2,1-2H3,(H2,12,17)(H,13,16).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 106374178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).