2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane

C10H13ClN4O — CID 62857696

IUPAC2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESCOc1nc(Cl)nc(N2CC3CCC2C3)n1
InChIInChI=1S/C10H13ClN4O/c1-16-10-13-8(11)12-9(14-10)15-5-6-2-3-7(15)4-6/h6-7H,2-5H2,1H3
InChIKeySIXDZYACQTWMMA-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.52
Rot. Bonds2

About 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane

2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane (PubChem CID 62857696) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane
PubChem CID62857696
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESCOc1nc(Cl)nc(N2CC3CCC2C3)n1
InChIInChI=1S/C10H13ClN4O/c1-16-10-13-8(11)12-9(14-10)15-5-6-2-3-7(15)4-6/h6-7H,2-5H2,1H3
InChIKeySIXDZYACQTWMMA-UHFFFAOYSA-N
XLogP1.52
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane 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 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane (CID 62857696) is 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane is COc1nc(Cl)nc(N2CC3CCC2C3)n1.
What is the InChIKey of 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is SIXDZYACQTWMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-16-10-13-8(11)12-9(14-10)15-5-6-2-3-7(15)4-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane?
2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 240.69 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 62857696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).