3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine

C11H20N6 — CID 66277112

IUPAC3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCC(N3CCCCC3)C2)n[nH]1
InChIInChI=1S/C11H20N6/c12-10-13-11(15-14-10)17-7-4-9(8-17)16-5-2-1-3-6-16/h9H,1-8H2,(H3,12,13,14,15)
InChIKeyFWYDALOIMRLXLJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.45
Rot. Bonds2

About 3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine

3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 66277112) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID66277112
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCC(N3CCCCC3)C2)n[nH]1
InChIInChI=1S/C11H20N6/c12-10-13-11(15-14-10)17-7-4-9(8-17)16-5-2-1-3-6-16/h9H,1-8H2,(H3,12,13,14,15)
InChIKeyFWYDALOIMRLXLJ-UHFFFAOYSA-N
XLogP0.45
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276900
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid
CID 112708500
[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol
CID 112629409
2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol
CID 114802720
3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276249
3-[4-[(8aS)-3-[(4-chlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 137397470
3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 79187063
4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171122
3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine
CID 66277764
3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1H-1,2,4-triazol-5-amine
CID 166140524
3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276875

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine (CID 66277112) is 3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCC(N3CCCCC3)C2)n[nH]1.
What is the InChIKey of 3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is FWYDALOIMRLXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c12-10-13-11(15-14-10)17-7-4-9(8-17)16-5-2-1-3-6-16/h9H,1-8H2,(H3,12,13,14,15).
What are the key properties of 3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 236.32 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66277112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).