1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide

C13H21N5O — CID 79362782

IUPAC1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
SMILESCC1(C)C(NC(=O)c2cn(C3CNC3)nn2)C1(C)C
InChIInChI=1S/C13H21N5O/c1-12(2)11(13(12,3)4)15-10(19)9-7-18(17-16-9)8-5-14-6-8/h7-8,11,14H,5-6H2,1-4H3,(H,15,19)
InChIKeyMTEDLNQMNVJITQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.59
Rot. Bonds3

About 1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide (PubChem CID 79362782) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
PubChem CID79362782
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
SMILESCC1(C)C(NC(=O)c2cn(C3CNC3)nn2)C1(C)C
InChIInChI=1S/C13H21N5O/c1-12(2)11(13(12,3)4)15-10(19)9-7-18(17-16-9)8-5-14-6-8/h7-8,11,14H,5-6H2,1-4H3,(H,15,19)
InChIKeyMTEDLNQMNVJITQ-UHFFFAOYSA-N
XLogP0.59
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
CID 79316456
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 79318572
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-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide
CID 79316306
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
CID 106361221
1-(azetidin-3-yl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]triazole-4-carboxamide
CID 79523298
1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide
CID 79319032
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide (CID 79362782) is 1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide is CC1(C)C(NC(=O)c2cn(C3CNC3)nn2)C1(C)C.
What is the InChIKey of 1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide?
The InChIKey is MTEDLNQMNVJITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-12(2)11(13(12,3)4)15-10(19)9-7-18(17-16-9)8-5-14-6-8/h7-8,11,14H,5-6H2,1-4H3,(H,15,19).
What are the key properties of 1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide is sourced from PubChem (CID 79362782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).