N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide

C12H21N5O — CID 74244989

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2cn[nH]n2)CC(C)(C)N1
InChIInChI=1S/C12H21N5O/c1-11(2)5-8(6-12(3,4)16-11)14-10(18)9-7-13-17-15-9/h7-8,16H,5-6H2,1-4H3,(H,14,18)(H,13,15,17)
InChIKeySEUAKFXOZUCDAZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.84
Rot. Bonds2

About N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide

N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide (PubChem CID 74244989) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide
PubChem CID74244989
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2cn[nH]n2)CC(C)(C)N1
InChIInChI=1S/C12H21N5O/c1-11(2)5-8(6-12(3,4)16-11)14-10(18)9-7-13-17-15-9/h7-8,16H,5-6H2,1-4H3,(H,14,18)(H,13,15,17)
InChIKeySEUAKFXOZUCDAZ-UHFFFAOYSA-N
XLogP0.84
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide (CID 74244989) is N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide is CC1(C)CC(NC(=O)c2cn[nH]n2)CC(C)(C)N1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The InChIKey is SEUAKFXOZUCDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-11(2)5-8(6-12(3,4)16-11)14-10(18)9-7-13-17-15-9/h7-8,16H,5-6H2,1-4H3,(H,14,18)(H,13,15,17).
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide?
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 74244989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).