5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile

C21H24N6 — CID 29126563

IUPAC5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
SMILESCC(C)N1CCc2c(C#N)c(NCCc3ccccc3)n3cnnc3c2C1
InChIInChI=1S/C21H24N6/c1-15(2)26-11-9-17-18(12-22)20(23-10-8-16-6-4-3-5-7-16)27-14-24-25-21(27)19(17)13-26/h3-7,14-15,23H,8-11,13H2,1-2H3
InChIKeyUWKNEKGJJHAURK-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.02
Rot. Bonds5

About 5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile

5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile (PubChem CID 29126563) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile.

Molecular Properties

Compound Name5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
PubChem CID29126563
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
SMILESCC(C)N1CCc2c(C#N)c(NCCc3ccccc3)n3cnnc3c2C1
InChIInChI=1S/C21H24N6/c1-15(2)26-11-9-17-18(12-22)20(23-10-8-16-6-4-3-5-7-16)27-14-24-25-21(27)19(17)13-26/h3-7,14-15,23H,8-11,13H2,1-2H3
InChIKeyUWKNEKGJJHAURK-UHFFFAOYSA-N
XLogP3.02
TPSA69.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile 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 5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
The IUPAC name of 5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile (CID 29126563) is 5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile.
What is the SMILES notation for 5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
The canonical SMILES for 5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile is CC(C)N1CCc2c(C#N)c(NCCc3ccccc3)n3cnnc3c2C1.
What is the InChIKey of 5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
The InChIKey is UWKNEKGJJHAURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-15(2)26-11-9-17-18(12-22)20(23-10-8-16-6-4-3-5-7-16)27-14-24-25-21(27)19(17)13-26/h3-7,14-15,23H,8-11,13H2,1-2H3.
What are the key properties of 5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile has a molecular weight of 360.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile is sourced from PubChem (CID 29126563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).