N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide

C16H12N6O2 — CID 121036367

IUPACN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1nnc2ccc(-c3cccc(NC(=O)c4ccno4)c3)nn12
InChIInChI=1S/C16H12N6O2/c1-10-19-20-15-6-5-13(21-22(10)15)11-3-2-4-12(9-11)18-16(23)14-7-8-17-24-14/h2-9H,1H3,(H,18,23)
InChIKeyTZBGXRPKGUIEEQ-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.34
Rot. Bonds3

About N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide

N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 121036367) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID121036367
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC NameN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1nnc2ccc(-c3cccc(NC(=O)c4ccno4)c3)nn12
InChIInChI=1S/C16H12N6O2/c1-10-19-20-15-6-5-13(21-22(10)15)11-3-2-4-12(9-11)18-16(23)14-7-8-17-24-14/h2-9H,1H3,(H,18,23)
InChIKeyTZBGXRPKGUIEEQ-UHFFFAOYSA-N
XLogP2.34
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532465
3-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532492
methyl 4-[[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]carbamoyl]benzoate
CID 121036330
3-cyano-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036320
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide
CID 7532485
2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532509
N-[2-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)anilino]-2-oxoethyl]benzamide
CID 121036304
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 121036374
4-butoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532442
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 122284871
2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036347
(3R)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51893848

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide (CID 121036367) is N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide is Cc1nnc2ccc(-c3cccc(NC(=O)c4ccno4)c3)nn12.
What is the InChIKey of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is TZBGXRPKGUIEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c1-10-19-20-15-6-5-13(21-22(10)15)11-3-2-4-12(9-11)18-16(23)14-7-8-17-24-14/h2-9H,1H3,(H,18,23).
What are the key properties of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide?
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121036367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).