4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile

C15H16N6 — CID 112941608

IUPAC4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2nncc(NC3CCCC3)n2)cc1
InChIInChI=1S/C15H16N6/c16-9-11-5-7-13(8-6-11)19-15-20-14(10-17-21-15)18-12-3-1-2-4-12/h5-8,10,12H,1-4H2,(H2,18,19,20,21)
InChIKeyTUTNQNCVLIIKIN-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.84
Rot. Bonds4

About 4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile

4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile (PubChem CID 112941608) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
PubChem CID112941608
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2nncc(NC3CCCC3)n2)cc1
InChIInChI=1S/C15H16N6/c16-9-11-5-7-13(8-6-11)19-15-20-14(10-17-21-15)18-12-3-1-2-4-12/h5-8,10,12H,1-4H2,(H2,18,19,20,21)
InChIKeyTUTNQNCVLIIKIN-UHFFFAOYSA-N
XLogP2.84
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-[[5-(cycloheptylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112959244
5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942291
5-N-cycloheptyl-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959185
5-N-cyclopentyl-3-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112941558
5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112941612
5-N-cyclopentyl-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941515
4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]benzonitrile
CID 112934407
3-[[3-(cycloheptylamino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112959360
3-N-(3-chloro-4-methylphenyl)-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941538
5-N-cycloheptyl-3-N-(3,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959235
4-[[3-(4-ethoxyanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112967663
4-[[5-[4-(trifluoromethyl)anilino]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112968264

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile?
The IUPAC name of 4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile (CID 112941608) is 4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile?
The canonical SMILES for 4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile is N#Cc1ccc(Nc2nncc(NC3CCCC3)n2)cc1.
What is the InChIKey of 4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile?
The InChIKey is TUTNQNCVLIIKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-9-11-5-7-13(8-6-11)19-15-20-14(10-17-21-15)18-12-3-1-2-4-12/h5-8,10,12H,1-4H2,(H2,18,19,20,21).
What are the key properties of 4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile?
4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile has a molecular weight of 280.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile is sourced from PubChem (CID 112941608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).