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

C9H15N5 — CID 67612455

IUPAC2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine
SMILESNc1ncnn1C12CCCN(CC1)C2
InChIInChI=1S/C9H15N5/c10-8-11-7-12-14(8)9-2-1-4-13(6-9)5-3-9/h7H,1-6H2,(H2,10,11,12)
InChIKeyVZIYRUDSVYDCLZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.06
Rot. Bonds1

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

2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine (PubChem CID 67612455) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine
PubChem CID67612455
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine
SMILESNc1ncnn1C12CCCN(CC1)C2
InChIInChI=1S/C9H15N5/c10-8-11-7-12-14(8)9-2-1-4-13(6-9)5-3-9/h7H,1-6H2,(H2,10,11,12)
InChIKeyVZIYRUDSVYDCLZ-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 2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine (CID 67612455) is 2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine is Nc1ncnn1C12CCCN(CC1)C2.
What is the InChIKey of 2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine?
The InChIKey is VZIYRUDSVYDCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-8-11-7-12-14(8)9-2-1-4-13(6-9)5-3-9/h7H,1-6H2,(H2,10,11,12).
What are the key properties of 2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine?
2-(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 2-(1-azabicyclo[3.2.1]octan-5-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 67612455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).