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

C11H14N4 — CID 82469730

IUPAC2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline
SMILESCn1cnnc1CCc1ccccc1N
InChIInChI=1S/C11H14N4/c1-15-8-13-14-11(15)7-6-9-4-2-3-5-10(9)12/h2-5,8H,6-7,12H2,1H3
InChIKeyYGOAHOZQDDOWOB-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.18
Rot. Bonds3

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

2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline (PubChem CID 82469730) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline
PubChem CID82469730
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline
SMILESCn1cnnc1CCc1ccccc1N
InChIInChI=1S/C11H14N4/c1-15-8-13-14-11(15)7-6-9-4-2-3-5-10(9)12/h2-5,8H,6-7,12H2,1H3
InChIKeyYGOAHOZQDDOWOB-UHFFFAOYSA-N
XLogP1.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.18
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

2-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62693867
2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 61140363
[2-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine
CID 81317863
2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 63747212
2-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethyl]aniline
CID 82484121
2-[2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)ethyl]aniline
CID 107273695
2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 63328798
aniline;3-(cyclopentylmethyl)-4-methyl-1,2,4-triazole
CID 178119274
2-methyl-3-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine
CID 63063434
2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
CID 107349767
aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole
CID 178119125
3-(3-bromopropyl)-4-methyl-1,2,4-triazole
CID 130876613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline?
The IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline (CID 82469730) is 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline is Cn1cnnc1CCc1ccccc1N.
What is the InChIKey of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline?
The InChIKey is YGOAHOZQDDOWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15-8-13-14-11(15)7-6-9-4-2-3-5-10(9)12/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline?
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline has a molecular weight of 202.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline is sourced from PubChem (CID 82469730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).