N-octyl-2-(1,2,4-triazol-1-yl)aniline

C16H24N4 — CID 43711465

IUPACN-octyl-2-(1,2,4-triazol-1-yl)aniline
SMILESCCCCCCCCNc1ccccc1-n1cncn1
InChIInChI=1S/C16H24N4/c1-2-3-4-5-6-9-12-18-15-10-7-8-11-16(15)20-14-17-13-19-20/h7-8,10-11,13-14,18H,2-6,9,12H2,1H3
InChIKeyDWMPTUVFXCYBDO-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.04
Rot. Bonds9

About N-octyl-2-(1,2,4-triazol-1-yl)aniline

N-octyl-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 43711465) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-octyl-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-octyl-2-(1,2,4-triazol-1-yl)aniline
PubChem CID43711465
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-octyl-2-(1,2,4-triazol-1-yl)aniline
SMILESCCCCCCCCNc1ccccc1-n1cncn1
InChIInChI=1S/C16H24N4/c1-2-3-4-5-6-9-12-18-15-10-7-8-11-16(15)20-14-17-13-19-20/h7-8,10-11,13-14,18H,2-6,9,12H2,1H3
InChIKeyDWMPTUVFXCYBDO-UHFFFAOYSA-N
XLogP4.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylbutyl)-2-(1,2,4-triazol-1-yl)aniline
CID 103087546
N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167520
3-fluoro-N-octyl-4-(1,2,4-triazol-1-yl)aniline
CID 63451897
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
N-[(3,4-dimethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43784452
N-butyl-3-chloro-2-(1,2,4-triazol-1-yl)aniline
CID 43726263
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66398320
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 103830798
N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62357772
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62749408
N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline
CID 103439007

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-octyl-2-(1,2,4-triazol-1-yl)aniline (CID 43711465) is N-octyl-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-octyl-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-octyl-2-(1,2,4-triazol-1-yl)aniline is CCCCCCCCNc1ccccc1-n1cncn1.
What is the InChIKey of N-octyl-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is DWMPTUVFXCYBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-3-4-5-6-9-12-18-15-10-7-8-11-16(15)20-14-17-13-19-20/h7-8,10-11,13-14,18H,2-6,9,12H2,1H3.
What are the key properties of N-octyl-2-(1,2,4-triazol-1-yl)aniline?
N-octyl-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 272.40 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 43711465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).