3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane

C10H16N4 — CID 118232807

IUPAC3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)C2n1cnnc1
InChIInChI=1S/C10H16N4/c1-13-4-8-2-3-9(5-13)10(8)14-6-11-12-7-14/h6-10H,2-5H2,1H3
InChIKeyYVILDKBWNLHEPJ-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.79
Rot. Bonds1

About 3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane

3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane (PubChem CID 118232807) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane
PubChem CID118232807
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)C2n1cnnc1
InChIInChI=1S/C10H16N4/c1-13-4-8-2-3-9(5-13)10(8)14-6-11-12-7-14/h6-10H,2-5H2,1H3
InChIKeyYVILDKBWNLHEPJ-UHFFFAOYSA-N
XLogP0.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane (CID 118232807) is 3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane is CN1CC2CCC(C1)C2n1cnnc1.
What is the InChIKey of 3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane?
The InChIKey is YVILDKBWNLHEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-13-4-8-2-3-9(5-13)10(8)14-6-11-12-7-14/h6-10H,2-5H2,1H3.
What are the key properties of 3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane?
3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane has a molecular weight of 192.27 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(1,2,4-triazol-4-yl)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 118232807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).