N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide

C13H16N6O — CID 112731973

IUPACN-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)c1cn[nH]n1
InChIInChI=1S/C13H16N6O/c20-13(11-9-15-18-17-11)16-10-4-7-19(8-5-10)12-3-1-2-6-14-12/h1-3,6,9-10H,4-5,7-8H2,(H,16,20)(H,15,17,18)
InChIKeyQWRDSZRAVVEZJI-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.60
Rot. Bonds3

About N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide

N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide (PubChem CID 112731973) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
PubChem CID112731973
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)c1cn[nH]n1
InChIInChI=1S/C13H16N6O/c20-13(11-9-15-18-17-11)16-10-4-7-19(8-5-10)12-3-1-2-6-14-12/h1-3,6,9-10H,4-5,7-8H2,(H,16,20)(H,15,17,18)
InChIKeyQWRDSZRAVVEZJI-UHFFFAOYSA-N
XLogP0.60
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-pyridin-2-ylpiperidin-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

Related Compounds

3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid
CID 138032228
2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120643504
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
CID 112733260
3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 60779524
N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112733890
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
6-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 86989964
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide (CID 112731973) is N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide is O=C(NC1CCN(c2ccccn2)CC1)c1cn[nH]n1.
What is the InChIKey of N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The InChIKey is QWRDSZRAVVEZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(11-9-15-18-17-11)16-10-4-7-19(8-5-10)12-3-1-2-6-14-12/h1-3,6,9-10H,4-5,7-8H2,(H,16,20)(H,15,17,18).
What are the key properties of N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide?
N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112731973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).