N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide

C8H11N5O2 — CID 78918284

IUPACN-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cn[nH]n2)CN1
InChIInChI=1S/C8H11N5O2/c14-7-2-1-5(3-9-7)11-8(15)6-4-10-13-12-6/h4-5H,1-3H2,(H,9,14)(H,11,15)(H,10,12,13)
InChIKeyUABQBFGFWRNWBX-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.19
Rot. Bonds2

About N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide

N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide (PubChem CID 78918284) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide
PubChem CID78918284
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC NameN-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cn[nH]n2)CN1
InChIInChI=1S/C8H11N5O2/c14-7-2-1-5(3-9-7)11-8(15)6-4-10-13-12-6/h4-5H,1-3H2,(H,9,14)(H,11,15)(H,10,12,13)
InChIKeyUABQBFGFWRNWBX-UHFFFAOYSA-N
XLogP-1.19
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 62492174
6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63661979
N-(6-oxopiperidin-3-yl)-1H-pyrazole-5-carboxamide
CID 62490219
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
CID 62489932
5-(methoxymethyl)-N-(6-oxopiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 66157177
N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 131036378
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide
CID 62896815
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
CID 112733260

Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide (CID 78918284) is N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide is O=C1CCC(NC(=O)c2cn[nH]n2)CN1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide?
The InChIKey is UABQBFGFWRNWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c14-7-2-1-5(3-9-7)11-8(15)6-4-10-13-12-6/h4-5H,1-3H2,(H,9,14)(H,11,15)(H,10,12,13).
What are the key properties of N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide?
N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide has a molecular weight of 209.21 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 78918284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).