1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide

C11H14N6O2 — CID 79326136

IUPAC1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide
SMILESCc1noc(NC(=O)c2cn(C3CNC3)nn2)c1C
InChIInChI=1S/C11H14N6O2/c1-6-7(2)15-19-11(6)13-10(18)9-5-17(16-14-9)8-3-12-4-8/h5,8,12H,3-4H2,1-2H3,(H,13,18)
InChIKeyWRTHYFYCEZFNMH-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.28
Rot. Bonds3

About 1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide (PubChem CID 79326136) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide
PubChem CID79326136
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide
SMILESCc1noc(NC(=O)c2cn(C3CNC3)nn2)c1C
InChIInChI=1S/C11H14N6O2/c1-6-7(2)15-19-11(6)13-10(18)9-5-17(16-14-9)8-3-12-4-8/h5,8,12H,3-4H2,1-2H3,(H,13,18)
InChIKeyWRTHYFYCEZFNMH-UHFFFAOYSA-N
XLogP0.28
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
5-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397913
1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 106415982
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide
CID 116786928
1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 79316576
1-(azetidin-3-yl)-N-(2,4,6-trichlorophenyl)triazole-4-carboxamide
CID 79319395
1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
CID 79316456
1-(azetidin-3-yl)-N-(2-bromo-5-methylphenyl)triazole-4-carboxamide
CID 82756878
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-(2-iodophenyl)triazole-4-carboxamide
CID 79316829
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide (CID 79326136) is 1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide is Cc1noc(NC(=O)c2cn(C3CNC3)nn2)c1C.
What is the InChIKey of 1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide?
The InChIKey is WRTHYFYCEZFNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-6-7(2)15-19-11(6)13-10(18)9-5-17(16-14-9)8-3-12-4-8/h5,8,12H,3-4H2,1-2H3,(H,13,18).
What are the key properties of 1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide is sourced from PubChem (CID 79326136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).