N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline

C16H16N4 — CID 43426538

IUPACN-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCc1ccccc1CNc1ccccc1-n1cncn1
InChIInChI=1S/C16H16N4/c1-13-6-2-3-7-14(13)10-18-15-8-4-5-9-16(15)20-12-17-11-19-20/h2-9,11-12,18H,10H2,1H3
InChIKeyDQZWYYKQLUEZCE-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.19
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline

N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 43426538) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
PubChem CID43426538
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCc1ccccc1CNc1ccccc1-n1cncn1
InChIInChI=1S/C16H16N4/c1-13-6-2-3-7-14(13)10-18-15-8-4-5-9-16(15)20-12-17-11-19-20/h2-9,11-12,18H,10H2,1H3
InChIKeyDQZWYYKQLUEZCE-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 115951256
3-[[2-(1,2,4-triazol-1-yl)anilino]methyl]benzene-1,2-diol
CID 61318676
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43711706
N-[(3,4-dimethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43784452
2-chloro-6-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 115951257
N-[(4-bromo-3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66474810
N-[(4-fluoro-3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62120050
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62749408
N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691536
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66398320
4-chloro-N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62863026
6-methyl-2-[[2-(1,2,4-triazol-1-yl)anilino]methyl]pyridin-3-ol
CID 79156738

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline (CID 43426538) is N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline is Cc1ccccc1CNc1ccccc1-n1cncn1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is DQZWYYKQLUEZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-13-6-2-3-7-14(13)10-18-15-8-4-5-9-16(15)20-12-17-11-19-20/h2-9,11-12,18H,10H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline?
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 264.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 43426538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).