1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine

C9H15N5 — CID 15663657

IUPAC1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C23CCCN(CC2)C3)n1
InChIInChI=1S/C9H15N5/c10-8-11-7-14(12-8)9-2-1-4-13(6-9)5-3-9/h7H,1-6H2,(H2,10,12)
InChIKeyZQQJVGLFLOXHSB-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.06
Rot. Bonds1

About 1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine

1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine (PubChem CID 15663657) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine
PubChem CID15663657
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C23CCCN(CC2)C3)n1
InChIInChI=1S/C9H15N5/c10-8-11-7-14(12-8)9-2-1-4-13(6-9)5-3-9/h7H,1-6H2,(H2,10,12)
InChIKeyZQQJVGLFLOXHSB-UHFFFAOYSA-N
XLogP0.06
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine (CID 15663657) is 1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine is Nc1ncn(C23CCCN(CC2)C3)n1.
What is the InChIKey of 1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine?
The InChIKey is ZQQJVGLFLOXHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-8-11-7-14(12-8)9-2-1-4-13(6-9)5-3-9/h7H,1-6H2,(H2,10,12).
What are the key properties of 1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine?
1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine has a molecular weight of 193.25 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 15663657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).