3-[2-(1,2,4-triazin-3-yl)ethyl]aniline

C11H12N4 — CID 82469417

IUPAC3-[2-(1,2,4-triazin-3-yl)ethyl]aniline
SMILESNc1cccc(CCc2nccnn2)c1
InChIInChI=1S/C11H12N4/c12-10-3-1-2-9(8-10)4-5-11-13-6-7-14-15-11/h1-3,6-8H,4-5,12H2
InChIKeyMXUXBIARGAHLBO-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.24
Rot. Bonds3

About 3-[2-(1,2,4-triazin-3-yl)ethyl]aniline

3-[2-(1,2,4-triazin-3-yl)ethyl]aniline (PubChem CID 82469417) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 3-[2-(1,2,4-triazin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(1,2,4-triazin-3-yl)ethyl]aniline
PubChem CID82469417
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name3-[2-(1,2,4-triazin-3-yl)ethyl]aniline
SMILESNc1cccc(CCc2nccnn2)c1
InChIInChI=1S/C11H12N4/c12-10-3-1-2-9(8-10)4-5-11-13-6-7-14-15-11/h1-3,6-8H,4-5,12H2
InChIKeyMXUXBIARGAHLBO-UHFFFAOYSA-N
XLogP1.24
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.24
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

3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride
CID 43829289
3-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 80503815
3-[2-(6-methylpyrimidin-4-yl)ethyl]aniline
CID 82471038
3-[2-(1,3-benzoxazol-2-yl)ethyl]aniline
CID 80502507
3-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]aniline
CID 82469664
3-(3-aminophenyl)propan-1-ol
CID 10103334
3-(3-fluoropropyl)aniline
CID 83855660
ethane;3-propylaniline;vanadium
CID 143596420
3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
CID 82058656
3-(2-thiophen-2-ylethyl)aniline
CID 170738786
3-pentylaniline
CID 19911390
3-[2-(dimethylamino)ethyl]aniline
CID 28720801

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,4-triazin-3-yl)ethyl]aniline?
The IUPAC name of 3-[2-(1,2,4-triazin-3-yl)ethyl]aniline (CID 82469417) is 3-[2-(1,2,4-triazin-3-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-(1,2,4-triazin-3-yl)ethyl]aniline?
The canonical SMILES for 3-[2-(1,2,4-triazin-3-yl)ethyl]aniline is Nc1cccc(CCc2nccnn2)c1.
What is the InChIKey of 3-[2-(1,2,4-triazin-3-yl)ethyl]aniline?
The InChIKey is MXUXBIARGAHLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-10-3-1-2-9(8-10)4-5-11-13-6-7-14-15-11/h1-3,6-8H,4-5,12H2.
What are the key properties of 3-[2-(1,2,4-triazin-3-yl)ethyl]aniline?
3-[2-(1,2,4-triazin-3-yl)ethyl]aniline has a molecular weight of 200.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,4-triazin-3-yl)ethyl]aniline is sourced from PubChem (CID 82469417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).