4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile

C19H14N6 — CID 75471548

IUPAC4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCc1nncn1-c1ccccc1
InChIInChI=1S/C19H14N6/c20-10-14-11-21-17-9-5-4-8-16(17)19(14)22-12-18-24-23-13-25(18)15-6-2-1-3-7-15/h1-9,11,13H,12H2,(H,21,22)
InChIKeyTWRVPQVODJNXFI-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.30
Rot. Bonds4

About 4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile

4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile (PubChem CID 75471548) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile
PubChem CID75471548
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCc1nncn1-c1ccccc1
InChIInChI=1S/C19H14N6/c20-10-14-11-21-17-9-5-4-8-16(17)19(14)22-12-18-24-23-13-25(18)15-6-2-1-3-7-15/h1-9,11,13H,12H2,(H,21,22)
InChIKeyTWRVPQVODJNXFI-UHFFFAOYSA-N
XLogP3.30
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-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 4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile (CID 75471548) is 4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1NCc1nncn1-c1ccccc1.
What is the InChIKey of 4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile?
The InChIKey is TWRVPQVODJNXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c20-10-14-11-21-17-9-5-4-8-16(17)19(14)22-12-18-24-23-13-25(18)15-6-2-1-3-7-15/h1-9,11,13H,12H2,(H,21,22).
What are the key properties of 4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile?
4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 75471548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).