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

C11H16N6O2 — CID 79317007

IUPAC1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide
SMILESO=C(NC1CCCNC1=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H16N6O2/c18-10-8(2-1-3-13-10)14-11(19)9-6-17(16-15-9)7-4-12-5-7/h6-8,12H,1-5H2,(H,13,18)(H,14,19)
InChIKeyRFOBKKYCDUNXAM-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.57
Rot. Bonds3

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

1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide (PubChem CID 79317007) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide
PubChem CID79317007
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide
SMILESO=C(NC1CCCNC1=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H16N6O2/c18-10-8(2-1-3-13-10)14-11(19)9-6-17(16-15-9)7-4-12-5-7/h6-8,12H,1-5H2,(H,13,18)(H,14,19)
InChIKeyRFOBKKYCDUNXAM-UHFFFAOYSA-N
XLogP-1.57
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]triazole-4-carboxamide
CID 79523298
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545
1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide
CID 79318606
N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129339806
1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
CID 106361221
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79523656
1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide
CID 70768511
1-(1-piperidin-3-yltriazol-4-yl)ethanone
CID 164663675
6-amino-N-(2-oxopiperidin-3-yl)pyridazine-3-carboxamide
CID 55041508
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

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide (CID 79317007) is 1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide is O=C(NC1CCCNC1=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide?
The InChIKey is RFOBKKYCDUNXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c18-10-8(2-1-3-13-10)14-11(19)9-6-17(16-15-9)7-4-12-5-7/h6-8,12H,1-5H2,(H,13,18)(H,14,19).
What are the key properties of 1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide has a molecular weight of 264.29 g/mol, XLogP of -1.57, 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-oxopiperidin-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 79317007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).