8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H20N6 — CID 61167703

IUPAC8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1cccnc1-n1cncn1)C2
InChIInChI=1S/C15H20N6/c1-20-12-4-5-13(20)8-11(7-12)19-14-3-2-6-17-15(14)21-10-16-9-18-21/h2-3,6,9-13,19H,4-5,7-8H2,1H3
InChIKeySQXWUFJNBRKEIQ-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.70
Rot. Bonds3

About 8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61167703) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61167703
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1cccnc1-n1cncn1)C2
InChIInChI=1S/C15H20N6/c1-20-12-4-5-13(20)8-11(7-12)19-14-3-2-6-17-15(14)21-10-16-9-18-21/h2-3,6,9-13,19H,4-5,7-8H2,1H3
InChIKeySQXWUFJNBRKEIQ-UHFFFAOYSA-N
XLogP1.70
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61167703) is 8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(Nc1cccnc1-n1cncn1)C2.
What is the InChIKey of 8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SQXWUFJNBRKEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-20-12-4-5-13(20)8-11(7-12)19-14-3-2-6-17-15(14)21-10-16-9-18-21/h2-3,6,9-13,19H,4-5,7-8H2,1H3.
What are the key properties of 8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 284.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61167703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).