1-(2-piperidin-1-ylethyl)triazol-4-amine

C9H17N5 — CID 79543077

IUPAC1-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESNc1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C9H17N5/c10-9-8-14(12-11-9)7-6-13-4-2-1-3-5-13/h8H,1-7,10H2
InChIKeyFGPSTTJXHOEZEC-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.35
Rot. Bonds3

About 1-(2-piperidin-1-ylethyl)triazol-4-amine

1-(2-piperidin-1-ylethyl)triazol-4-amine (PubChem CID 79543077) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)triazol-4-amine
PubChem CID79543077
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESNc1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C9H17N5/c10-9-8-14(12-11-9)7-6-13-4-2-1-3-5-13/h8H,1-7,10H2
InChIKeyFGPSTTJXHOEZEC-UHFFFAOYSA-N
XLogP0.35
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)triazol-4-amine?
The IUPAC name of 1-(2-piperidin-1-ylethyl)triazol-4-amine (CID 79543077) is 1-(2-piperidin-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)triazol-4-amine?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)triazol-4-amine is Nc1cn(CCN2CCCCC2)nn1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)triazol-4-amine?
The InChIKey is FGPSTTJXHOEZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c10-9-8-14(12-11-9)7-6-13-4-2-1-3-5-13/h8H,1-7,10H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)triazol-4-amine?
1-(2-piperidin-1-ylethyl)triazol-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 79543077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).