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

C12H19N5O2 — CID 79316545

IUPAC1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
SMILESO=C(NC1CCCCC1O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H19N5O2/c18-11-4-2-1-3-9(11)14-12(19)10-7-17(16-15-10)8-5-13-6-8/h7-9,11,13,18H,1-6H2,(H,14,19)
InChIKeyLSYJAURLYCUSBQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.54
Rot. Bonds3

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

1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide (PubChem CID 79316545) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
PubChem CID79316545
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
SMILESO=C(NC1CCCCC1O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H19N5O2/c18-11-4-2-1-3-9(11)14-12(19)10-7-17(16-15-10)8-5-13-6-8/h7-9,11,13,18H,1-6H2,(H,14,19)
InChIKeyLSYJAURLYCUSBQ-UHFFFAOYSA-N
XLogP-0.54
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
CID 106361221
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide
CID 79317007
N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 79318572
N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide
CID 104927751
1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide
CID 103308251
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
CID 79316456
1-(azetidin-3-yl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]triazole-4-carboxamide
CID 79523298
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide
CID 79318606

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide (CID 79316545) is 1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide is O=C(NC1CCCCC1O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide?
The InChIKey is LSYJAURLYCUSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c18-11-4-2-1-3-9(11)14-12(19)10-7-17(16-15-10)8-5-13-6-8/h7-9,11,13,18H,1-6H2,(H,14,19).
What are the key properties of 1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide is sourced from PubChem (CID 79316545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).