3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide

C8H14N6O — CID 83021412

IUPAC3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NN2CCCCC2)n1
InChIInChI=1S/C8H14N6O/c9-8-10-6(11-12-8)7(15)13-14-4-2-1-3-5-14/h1-5H2,(H,13,15)(H3,9,10,11,12)
InChIKeyCRAQXZBHGAZIJK-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.48
Rot. Bonds2

About 3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide

3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 83021412) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide
PubChem CID83021412
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NN2CCCCC2)n1
InChIInChI=1S/C8H14N6O/c9-8-10-6(11-12-8)7(15)13-14-4-2-1-3-5-14/h1-5H2,(H,13,15)(H3,9,10,11,12)
InChIKeyCRAQXZBHGAZIJK-UHFFFAOYSA-N
XLogP-0.48
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-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 3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide (CID 83021412) is 3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NN2CCCCC2)n1.
What is the InChIKey of 3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CRAQXZBHGAZIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c9-8-10-6(11-12-8)7(15)13-14-4-2-1-3-5-14/h1-5H2,(H,13,15)(H3,9,10,11,12).
What are the key properties of 3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 83021412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).