N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide

C11H18N6O2 — CID 106096632

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H18N6O2/c1-11(2,3-9(12)18)14-10(19)8-6-17(16-15-8)7-4-13-5-7/h6-7,13H,3-5H2,1-2H3,(H2,12,18)(H,14,19)
InChIKeyITUHNNFRIXAZBY-UHFFFAOYSA-N
MW266.31 g/mol
LogP-1.19
Rot. Bonds5

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide (PubChem CID 106096632) has the molecular formula C11H18N6O2 and a molecular weight of 266.31 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
PubChem CID106096632
Molecular FormulaC11H18N6O2
Molecular Weight266.31 g/mol
Exact Mass266.15
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H18N6O2/c1-11(2,3-9(12)18)14-10(19)8-6-17(16-15-8)7-4-13-5-7/h6-7,13H,3-5H2,1-2H3,(H2,12,18)(H,14,19)
InChIKeyITUHNNFRIXAZBY-UHFFFAOYSA-N
XLogP-1.19
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 79316716
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide
CID 79326027
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754
N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 79318572

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide (CID 106096632) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide is CC(C)(CC(N)=O)NC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide?
The InChIKey is ITUHNNFRIXAZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-11(2,3-9(12)18)14-10(19)8-6-17(16-15-8)7-4-13-5-7/h6-7,13H,3-5H2,1-2H3,(H2,12,18)(H,14,19).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide has a molecular weight of 266.31 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 106096632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).