6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide

C13H17N5O2 — CID 109124832

IUPAC6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(C)(C)C)nn2)no1
InChIInChI=1S/C13H17N5O2/c1-8-7-11(18-20-8)14-12(19)9-5-6-10(17-16-9)15-13(2,3)4/h5-7H,1-4H3,(H,15,17)(H,14,18,19)
InChIKeyQTJOEDOJYINOHG-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.24
Rot. Bonds3

About 6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide

6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide (PubChem CID 109124832) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
PubChem CID109124832
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(C)(C)C)nn2)no1
InChIInChI=1S/C13H17N5O2/c1-8-7-11(18-20-8)14-12(19)9-5-6-10(17-16-9)15-13(2,3)4/h5-7H,1-4H3,(H,15,17)(H,14,18,19)
InChIKeyQTJOEDOJYINOHG-UHFFFAOYSA-N
XLogP2.24
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118580
6-(tert-butylamino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109124730
6-[(2-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109120056
N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128180
N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109130085
5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198812
3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109056093
6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124776
6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109124809
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109130413
N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109119955

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide (CID 109124832) is 6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide is Cc1cc(NC(=O)c2ccc(NC(C)(C)C)nn2)no1.
What is the InChIKey of 6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide?
The InChIKey is QTJOEDOJYINOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-7-11(18-20-8)14-12(19)9-5-6-10(17-16-9)15-13(2,3)4/h5-7H,1-4H3,(H,15,17)(H,14,18,19).
What are the key properties of 6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide?
6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109124832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).