N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine

C16H24N4 — CID 69436788

IUPACN-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine
SMILESCCCCCNCCc1n[nH]nc1-c1ccc(C)cc1
InChIInChI=1S/C16H24N4/c1-3-4-5-11-17-12-10-15-16(19-20-18-15)14-8-6-13(2)7-9-14/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,19,20)
InChIKeySNRSVHHYYFWYPG-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.10
Rot. Bonds8

About N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine

N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine (PubChem CID 69436788) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine
PubChem CID69436788
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine
SMILESCCCCCNCCc1n[nH]nc1-c1ccc(C)cc1
InChIInChI=1S/C16H24N4/c1-3-4-5-11-17-12-10-15-16(19-20-18-15)14-8-6-13(2)7-9-14/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,19,20)
InChIKeySNRSVHHYYFWYPG-UHFFFAOYSA-N
XLogP3.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine 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

5-methyl-4-phenyl-1H-1,2,3-triazole
CID 12207442
N-[(2-benzyl-5-phenyl-2H-1,2,3-triazol-4-yl)methyl]-N-(tert-butyl)amine
CID 44615823
N'-methyl-N'-[[5-[3-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methyl]ethane-1,2-diamine
CID 177666055
4-Phenyl-5-phenylaminomethyl-[1,2,3]triazol-1-ylamine
CID 10659350
5-Methyl-4-phenyltriazol-1-amine
CID 12207441
4-Ethyl-5-phenyl-2H-1,2,3-triazole
CID 15501643
[4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine
CID 91214798
(3S)-1-benzyl-N-[[5-(2-fluorophenyl)-2H-triazol-4-yl]methyl]pyrrolidin-3-amine
CID 144988299
5-Methyl-4-(4-methylphenyl)triazol-1-amine
CID 12283060
4-[Azido(phenyl)methyl]-5-phenyl-2H-1,2,3-triazole
CID 13125625
4-pentyl-5-phenyl-2H-triazole
CID 91482838
5-Phenyl-4-[3-phenyl-4,5-dihydro-1h-pyrazol-5-yl]-1h-1,2,3-triazole
CID 129757926

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine?
The IUPAC name of N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine (CID 69436788) is N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine?
The canonical SMILES for N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine is CCCCCNCCc1n[nH]nc1-c1ccc(C)cc1.
What is the InChIKey of N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine?
The InChIKey is SNRSVHHYYFWYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-4-5-11-17-12-10-15-16(19-20-18-15)14-8-6-13(2)7-9-14/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,19,20).
What are the key properties of N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine?
N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-methylphenyl)-2H-triazol-4-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 69436788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).