3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide

C12H22N6O — CID 62793002

IUPAC3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(CNC(=O)c1nc(N)n[nH]1)CN1CCCCC1
InChIInChI=1S/C12H22N6O/c1-9(8-18-5-3-2-4-6-18)7-14-11(19)10-15-12(13)17-16-10/h9H,2-8H2,1H3,(H,14,19)(H3,13,15,16,17)
InChIKeyOFEQNQVHBPIQTH-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.24
Rot. Bonds5

About 3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62793002) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62793002
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(CNC(=O)c1nc(N)n[nH]1)CN1CCCCC1
InChIInChI=1S/C12H22N6O/c1-9(8-18-5-3-2-4-6-18)7-14-11(19)10-15-12(13)17-16-10/h9H,2-8H2,1H3,(H,14,19)(H3,13,15,16,17)
InChIKeyOFEQNQVHBPIQTH-UHFFFAOYSA-N
XLogP0.24
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 94599693
3-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794373
3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide
CID 83021412
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
CID 125438071
(2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
CID 125438070
N-(2-methyl-3-piperidin-1-ylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55982510
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292410
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 62994297
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
5-[[[(2S)-1-(azepan-1-yl)propan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine
CID 125443062
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 106026096
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide (CID 62793002) is 3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide is CC(CNC(=O)c1nc(N)n[nH]1)CN1CCCCC1.
What is the InChIKey of 3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OFEQNQVHBPIQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-9(8-18-5-3-2-4-6-18)7-14-11(19)10-15-12(13)17-16-10/h9H,2-8H2,1H3,(H,14,19)(H3,13,15,16,17).
What are the key properties of 3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62793002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).