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

C7H14N6 — CID 155290360

IUPAC1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
SMILESNc1nc(N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C7H14N6/c8-5-2-1-3-13(4-5)7-10-6(9)11-12-7/h5H,1-4,8H2,(H3,9,10,11,12)
InChIKeyYOUJHLUQABOMDQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.69
Rot. Bonds1

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

1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine (PubChem CID 155290360) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
PubChem CID155290360
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
SMILESNc1nc(N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C7H14N6/c8-5-2-1-3-13(4-5)7-10-6(9)11-12-7/h5H,1-4,8H2,(H3,9,10,11,12)
InChIKeyYOUJHLUQABOMDQ-UHFFFAOYSA-N
XLogP-0.69
TPSA96.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine?
The IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine (CID 155290360) is 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine.
What is the SMILES notation for 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine?
The canonical SMILES for 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine is Nc1nc(N2CCCC(N)C2)n[nH]1.
What is the InChIKey of 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine?
The InChIKey is YOUJHLUQABOMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c8-5-2-1-3-13(4-5)7-10-6(9)11-12-7/h5H,1-4,8H2,(H3,9,10,11,12).
What are the key properties of 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine?
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine has a molecular weight of 182.23 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine is sourced from PubChem (CID 155290360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).