1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine

C9H15N5 — CID 118561799

IUPAC1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine
SMILESNC1CCC2CCC1(n1ccnn1)N2
InChIInChI=1S/C9H15N5/c10-8-2-1-7-3-4-9(8,12-7)14-6-5-11-13-14/h5-8,12H,1-4,10H2
InChIKeyIHOCXVDVCIJTNY-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.20
Rot. Bonds1

About 1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine

1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine (PubChem CID 118561799) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine.

Molecular Properties

Compound Name1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine
PubChem CID118561799
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine
SMILESNC1CCC2CCC1(n1ccnn1)N2
InChIInChI=1S/C9H15N5/c10-8-2-1-7-3-4-9(8,12-7)14-6-5-11-13-14/h5-8,12H,1-4,10H2
InChIKeyIHOCXVDVCIJTNY-UHFFFAOYSA-N
XLogP-0.20
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine?
The IUPAC name of 1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine (CID 118561799) is 1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine.
What is the SMILES notation for 1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine?
The canonical SMILES for 1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine is NC1CCC2CCC1(n1ccnn1)N2.
What is the InChIKey of 1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine?
The InChIKey is IHOCXVDVCIJTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-8-2-1-7-3-4-9(8,12-7)14-6-5-11-13-14/h5-8,12H,1-4,10H2.
What are the key properties of 1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine?
1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine has a molecular weight of 193.25 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-2-amine is sourced from PubChem (CID 118561799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).