3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline

C11H14N4 — CID 63653002

IUPAC3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline
SMILESCCn1ncnc1-c1cc(N)ccc1C
InChIInChI=1S/C11H14N4/c1-3-15-11(13-7-14-15)10-6-9(12)5-4-8(10)2/h4-7H,3,12H2,1-2H3
InChIKeyVPCOKTHWDDRVHF-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.86
Rot. Bonds2

About 3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline

3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline (PubChem CID 63653002) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline.

Molecular Properties

Compound Name3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline
PubChem CID63653002
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline
SMILESCCn1ncnc1-c1cc(N)ccc1C
InChIInChI=1S/C11H14N4/c1-3-15-11(13-7-14-15)10-6-9(12)5-4-8(10)2/h4-7H,3,12H2,1-2H3
InChIKeyVPCOKTHWDDRVHF-UHFFFAOYSA-N
XLogP1.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-ethyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 114287515
3-(1-ethylimidazol-2-yl)-4-methylaniline
CID 63974560
5-(2-ethyl-1,2,4-triazol-3-yl)-2,4-difluoroaniline
CID 62697395
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylaniline
CID 63805681
2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline
CID 63111768
5-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 63616303
5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
CID 62696837
2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 62697211
3-(1-butyltetrazol-5-yl)-4-methylaniline
CID 61352668
4-methyl-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)aniline
CID 63653874
2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde
CID 130529860
3-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-methylbenzenesulfonamide
CID 131896047

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline?
The IUPAC name of 3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline (CID 63653002) is 3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline.
What is the SMILES notation for 3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline?
The canonical SMILES for 3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline is CCn1ncnc1-c1cc(N)ccc1C.
What is the InChIKey of 3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline?
The InChIKey is VPCOKTHWDDRVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-3-15-11(13-7-14-15)10-6-9(12)5-4-8(10)2/h4-7H,3,12H2,1-2H3.
What are the key properties of 3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline?
3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline has a molecular weight of 202.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline is sourced from PubChem (CID 63653002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).