4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline

C13H18N4 — CID 112718097

IUPAC4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline
SMILESCCn1cc(CC(C)c2ccc(N)cc2)nn1
InChIInChI=1S/C13H18N4/c1-3-17-9-13(15-16-17)8-10(2)11-4-6-12(14)7-5-11/h4-7,9-10H,3,8,14H2,1-2H3
InChIKeyILUMXFMMFWYXJO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds4

About 4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline

4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline (PubChem CID 112718097) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline
PubChem CID112718097
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline
SMILESCCn1cc(CC(C)c2ccc(N)cc2)nn1
InChIInChI=1S/C13H18N4/c1-3-17-9-13(15-16-17)8-10(2)11-4-6-12(14)7-5-11/h4-7,9-10H,3,8,14H2,1-2H3
InChIKeyILUMXFMMFWYXJO-UHFFFAOYSA-N
XLogP2.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
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

4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole
CID 112718136
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
1-ethyl-4-[2-(5-ethylthiophen-2-yl)propyl]triazole
CID 112718224
1-ethyl-4-[2-(3-propylsulfonylphenyl)propyl]triazole
CID 112717717
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
CID 112717061
1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole
CID 112718617
4-[2-(3-tert-butyl-4-methylphenyl)butyl]-1-ethyltriazole
CID 112719294
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
CID 112718565
3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol
CID 112718351
4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole
CID 112719733
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-ethyltriazole
CID 112717193
1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine
CID 84765468

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline?
The IUPAC name of 4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline (CID 112718097) is 4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline?
The canonical SMILES for 4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline is CCn1cc(CC(C)c2ccc(N)cc2)nn1.
What is the InChIKey of 4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline?
The InChIKey is ILUMXFMMFWYXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-17-9-13(15-16-17)8-10(2)11-4-6-12(14)7-5-11/h4-7,9-10H,3,8,14H2,1-2H3.
What are the key properties of 4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline?
4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline has a molecular weight of 230.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline is sourced from PubChem (CID 112718097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).