6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane

C19H20N4 — CID 167807115

IUPAC6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane
SMILESCn1c(-c2ccc3ccccc3c2)nnc1N1CC2CCCC21
InChIInChI=1S/C19H20N4/c1-22-18(15-10-9-13-5-2-3-6-14(13)11-15)20-21-19(22)23-12-16-7-4-8-17(16)23/h2-3,5-6,9-11,16-17H,4,7-8,12H2,1H3
InChIKeyFNGKXVCBODKVRH-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.62
Rot. Bonds2

About 6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane

6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane (PubChem CID 167807115) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane
PubChem CID167807115
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane
SMILESCn1c(-c2ccc3ccccc3c2)nnc1N1CC2CCCC21
InChIInChI=1S/C19H20N4/c1-22-18(15-10-9-13-5-2-3-6-14(13)11-15)20-21-19(22)23-12-16-7-4-8-17(16)23/h2-3,5-6,9-11,16-17H,4,7-8,12H2,1H3
InChIKeyFNGKXVCBODKVRH-UHFFFAOYSA-N
XLogP3.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]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 6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane?
The IUPAC name of 6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane (CID 167807115) is 6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane?
The canonical SMILES for 6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane is Cn1c(-c2ccc3ccccc3c2)nnc1N1CC2CCCC21.
What is the InChIKey of 6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane?
The InChIKey is FNGKXVCBODKVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-22-18(15-10-9-13-5-2-3-6-14(13)11-15)20-21-19(22)23-12-16-7-4-8-17(16)23/h2-3,5-6,9-11,16-17H,4,7-8,12H2,1H3.
What are the key properties of 6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane?
6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane has a molecular weight of 304.40 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 167807115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).